3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile

C11H13N7 — CID 103468827

IUPAC3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile
SMILESCn1cnc(CCNc2ccc(N)c(C#N)n2)n1
InChIInChI=1S/C11H13N7/c1-18-7-15-11(17-18)4-5-14-10-3-2-8(13)9(6-12)16-10/h2-3,7H,4-5,13H2,1H3,(H,14,16)
InChIKeyNIXSDQXEFQWJQO-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.32
Rot. Bonds4

About 3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile

3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile (PubChem CID 103468827) has the molecular formula C11H13N7 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile
PubChem CID103468827
Molecular FormulaC11H13N7
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile
SMILESCn1cnc(CCNc2ccc(N)c(C#N)n2)n1
InChIInChI=1S/C11H13N7/c1-18-7-15-11(17-18)4-5-14-10-3-2-8(13)9(6-12)16-10/h2-3,7H,4-5,13H2,1H3,(H,14,16)
InChIKeyNIXSDQXEFQWJQO-UHFFFAOYSA-N
XLogP0.32
TPSA105.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(cyclopropylmethoxy)-2-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,5-diamine
CID 80684692
2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carbonitrile
CID 80683010
3-amino-6-(2-hydroxyethylamino)pyridine-2-carbonitrile
CID 103467344
3-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 106036110
2-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 80688951
3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile
CID 103469092
3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile
CID 103468589
3-amino-6-(2-thiophen-2-ylethylamino)pyridine-2-carbonitrile
CID 103467331
6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridazin-3-amine
CID 80689016
6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 80926867
5-bromo-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzonitrile
CID 113381723
3-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile
CID 103383493

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile (CID 103468827) is 3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile is Cn1cnc(CCNc2ccc(N)c(C#N)n2)n1.
What is the InChIKey of 3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is NIXSDQXEFQWJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7/c1-18-7-15-11(17-18)4-5-14-10-3-2-8(13)9(6-12)16-10/h2-3,7H,4-5,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile?
3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile has a molecular weight of 243.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 103468827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).