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

C11H13N7 — CID 62118812

IUPAC5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ncc(N)cc1C#N)c1nncn1C
InChIInChI=1S/C11H13N7/c1-7(11-17-15-6-18(11)2)16-10-8(4-12)3-9(13)5-14-10/h3,5-7H,13H2,1-2H3,(H,14,16)
InChIKeyRYTYLTZWACSHQB-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.84
Rot. Bonds3

About 5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile

5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 62118812) has the molecular formula C11H13N7 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID62118812
Molecular FormulaC11H13N7
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ncc(N)cc1C#N)c1nncn1C
InChIInChI=1S/C11H13N7/c1-7(11-17-15-6-18(11)2)16-10-8(4-12)3-9(13)5-14-10/h3,5-7H,13H2,1-2H3,(H,14,16)
InChIKeyRYTYLTZWACSHQB-UHFFFAOYSA-N
XLogP0.84
TPSA105.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-2-(propan-2-ylamino)pyridine-3-carbonitrile
CID 60922622
2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 62118630
5-amino-2-(4-hydroxybutan-2-ylamino)pyridine-3-carbonitrile
CID 83177474
5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile
CID 54954353
5-chloro-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 113372633
5-amino-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
CID 60924910
4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-(trifluoromethyl)benzonitrile
CID 62117730
6-methyl-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327111
5-amino-2-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile
CID 83003145
2-methyl-1-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,4-diamine
CID 55037646
5,6-diethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridazine-4-carbonitrile
CID 80504752
ethyl 2-[(5-amino-3-cyano-2-pyridinyl)amino]propanoate
CID 54960433

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile (CID 62118812) is 5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile is CC(Nc1ncc(N)cc1C#N)c1nncn1C.
What is the InChIKey of 5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is RYTYLTZWACSHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7/c1-7(11-17-15-6-18(11)2)16-10-8(4-12)3-9(13)5-14-10/h3,5-7H,13H2,1-2H3,(H,14,16).
What are the key properties of 5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile?
5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 243.27 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 62118812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).