CAS
95070-39-6 Purity
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95070-39-6 Purity
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2-[1,2,4]Triazol-1-yl-nicotinonitrile
CAS
950769-00-3
Catalog Number
ACM950769003
Category
Other Products
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What is the molecular formula of 2-[1,2,4]Triazol-1-yl-nicotinonitrile?
The molecular formula is C8H5N5.
What is the molecular weight of 2-[1,2,4]Triazol-1-yl-nicotinonitrile?
The molecular weight is 171.16 g/mol.
When was 2-[1,2,4]Triazol-1-yl-nicotinonitrile created and last modified?
It was created on 2008-02-29 and last modified on 2023-12-30.
What is the IUPAC name of 2-[1,2,4]Triazol-1-yl-nicotinonitrile?
The IUPAC name is 2-(1,2,4-triazol-1-yl)pyridine-3-carbonitrile.
What is the InChI of 2-[1,2,4]Triazol-1-yl-nicotinonitrile?
The InChI is InChI=1S/C8H5N5/c9-4-7-2-1-3-11-8(7)13-6-10-5-12-13/h1-3,5-6H.
What is the InChIKey of 2-[1,2,4]Triazol-1-yl-nicotinonitrile?
The InChIKey is DXMJLLQDQULJIK-UHFFFAOYSA-N.
What is the canonical SMILES of 2-[1,2,4]Triazol-1-yl-nicotinonitrile?
The canonical SMILES is C1=CC(=C(N=C1)N2C=NC=N2)C#N.
What is the XLogP3-AA value of 2-[1,2,4]Triazol-1-yl-nicotinonitrile?
The XLogP3-AA value is 0.6.
How many hydrogen bond acceptor counts does 2-[1,2,4]Triazol-1-yl-nicotinonitrile have?
It has 4 hydrogen bond acceptor counts.
Is 2-[1,2,4]Triazol-1-yl-nicotinonitrile a canonicalized compound?
Yes, it is a canonicalized compound.
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