2-methoxy-5-[(3-methyltriazol-4-yl)methylamino]pyridine-3-carbonitrile

C11H12N6O — CID 136572888

IUPAC2-methoxy-5-[(3-methyltriazol-4-yl)methylamino]pyridine-3-carbonitrile
SMILESCOc1ncc(NCc2cnnn2C)cc1C#N
InChIInChI=1S/C11H12N6O/c1-17-10(7-15-16-17)6-13-9-3-8(4-12)11(18-2)14-5-9/h3,5,7,13H,6H2,1-2H3
InChIKeyDMXGLMLUSFRWSA-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.70
Rot. Bonds4

About 2-methoxy-5-[(3-methyltriazol-4-yl)methylamino]pyridine-3-carbonitrile

2-methoxy-5-[(3-methyltriazol-4-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 136572888) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-methoxy-5-[(3-methyltriazol-4-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-5-[(3-methyltriazol-4-yl)methylamino]pyridine-3-carbonitrile
PubChem CID136572888
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name2-methoxy-5-[(3-methyltriazol-4-yl)methylamino]pyridine-3-carbonitrile
SMILESCOc1ncc(NCc2cnnn2C)cc1C#N
InChIInChI=1S/C11H12N6O/c1-17-10(7-15-16-17)6-13-9-3-8(4-12)11(18-2)14-5-9/h3,5,7,13H,6H2,1-2H3
InChIKeyDMXGLMLUSFRWSA-UHFFFAOYSA-N
XLogP0.70
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115682400
N-[(3-methyltriazol-4-yl)methyl]pyrimidin-5-amine
CID 107587777
N-[(3-methyltriazol-4-yl)methyl]-4-nitroaniline
CID 113483011
2-methoxypyridine-3,5-dicarbonitrile
CID 84650868
3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115682485
4-ethoxy-3-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115743266
3-[(3-methoxyphenyl)methoxy]-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 75389970
2-methoxy-5-propylpyridine-3-carbonitrile
CID 146366204
3-bromo-N-[(3-methyltriazol-4-yl)methyl]-4-(trifluoromethoxy)aniline
CID 107336003
4-fluoro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115685525
5-methyl-N-[(3-methyltriazol-4-yl)methyl]-1H-1,2,4-triazol-3-amine
CID 130644739
N-[(3-methyltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 115749257

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(3-methyltriazol-4-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-5-[(3-methyltriazol-4-yl)methylamino]pyridine-3-carbonitrile (CID 136572888) is 2-methoxy-5-[(3-methyltriazol-4-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-5-[(3-methyltriazol-4-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-5-[(3-methyltriazol-4-yl)methylamino]pyridine-3-carbonitrile is COc1ncc(NCc2cnnn2C)cc1C#N.
What is the InChIKey of 2-methoxy-5-[(3-methyltriazol-4-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is DMXGLMLUSFRWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-17-10(7-15-16-17)6-13-9-3-8(4-12)11(18-2)14-5-9/h3,5,7,13H,6H2,1-2H3.
What are the key properties of 2-methoxy-5-[(3-methyltriazol-4-yl)methylamino]pyridine-3-carbonitrile?
2-methoxy-5-[(3-methyltriazol-4-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 244.26 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(3-methyltriazol-4-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 136572888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).