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

C10H10N6 — CID 115487649

IUPAC5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile
SMILESCn1cnnc1CNc1ccc(C#N)nc1
InChIInChI=1S/C10H10N6/c1-16-7-14-15-10(16)6-13-9-3-2-8(4-11)12-5-9/h2-3,5,7,13H,6H2,1H3
InChIKeyUEBRCQZYXPMZBB-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.69
Rot. Bonds3

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

5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile (PubChem CID 115487649) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile
PubChem CID115487649
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile
SMILESCn1cnnc1CNc1ccc(C#N)nc1
InChIInChI=1S/C10H10N6/c1-16-7-14-15-10(16)6-13-9-3-2-8(4-11)12-5-9/h2-3,5,7,13H,6H2,1H3
InChIKeyUEBRCQZYXPMZBB-UHFFFAOYSA-N
XLogP0.69
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile
CID 62924484
2-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzene-1,4-diamine
CID 62118995
4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]quinoline-3-carbonitrile
CID 61004801
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 79839878
3-bromo-4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 115969661
5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile
CID 104626517
5-[(4-methylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 79840062
(4-methyl-1,2,4-triazol-3-yl)methylhydrazine
CID 130979305
5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103736721
5-[(4-ethylsulfonylphenyl)methylamino]pyridine-2-carbonitrile
CID 100675654
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041
5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile
CID 115487781

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile (CID 115487649) is 5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile is Cn1cnnc1CNc1ccc(C#N)nc1.
What is the InChIKey of 5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile?
The InChIKey is UEBRCQZYXPMZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6/c1-16-7-14-15-10(16)6-13-9-3-2-8(4-11)12-5-9/h2-3,5,7,13H,6H2,1H3.
What are the key properties of 5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile?
5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile has a molecular weight of 214.23 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 115487649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).