CAS
954236-18-1 Purity
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954236-18-1 Purity
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5,6,7,8-Tetrahydro-4H-1,2,3a,6-tetraaza-azulene-3-carboxylic acid amide
CAS
954236-38-5
Catalog Number
ACM954236385
Category
Other Products
Molecular Weight
181.19514
Molecular Formula
C7H11N5O
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Specification
Synonyms
5,6,7,8-Tetrahydro-4H-1,2,3a,6-tetraaza-azulene-3-carboxylic acid amide
What is the molecular formula of the compound?
The molecular formula of the compound is C7H11N5O.
What are the synonyms for the compound?
The synonyms for the compound are 954236-38-5 and AKOS006306265.
What is the molecular weight of the compound?
The molecular weight of the compound is 181.20 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine-3-carboxamide.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C7H11N5O/c8-6(13)7-11-10-5-1-2-9-3-4-12(5)7/h9H,1-4H2,(H2,8,13).
What is the InChIKey of the compound?
The InChIKey of the compound is UORXVMFTDNRXSR-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1CNCCN2C1=NN=C2C(=O)N.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is -1.8.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
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