3-hydroxy-2-methyl-1-[[(4-pyridin-2-yltriazol-1-yl)methylamino]methyl]pyridin-4-one

C15H16N6O2 — CID 170097966

IUPAC3-hydroxy-2-methyl-1-[[(4-pyridin-2-yltriazol-1-yl)methylamino]methyl]pyridin-4-one
SMILESCc1c(O)c(=O)ccn1CNCn1cc(-c2ccccn2)nn1
InChIInChI=1S/C15H16N6O2/c1-11-15(23)14(22)5-7-20(11)9-16-10-21-8-13(18-19-21)12-4-2-3-6-17-12/h2-8,16,23H,9-10H2,1H3
InChIKeyLRWFYNXROZMWAF-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.72
Rot. Bonds5

About 3-hydroxy-2-methyl-1-[[(4-pyridin-2-yltriazol-1-yl)methylamino]methyl]pyridin-4-one

3-hydroxy-2-methyl-1-[[(4-pyridin-2-yltriazol-1-yl)methylamino]methyl]pyridin-4-one (PubChem CID 170097966) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-[[(4-pyridin-2-yltriazol-1-yl)methylamino]methyl]pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-[[(4-pyridin-2-yltriazol-1-yl)methylamino]methyl]pyridin-4-one
PubChem CID170097966
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name3-hydroxy-2-methyl-1-[[(4-pyridin-2-yltriazol-1-yl)methylamino]methyl]pyridin-4-one
SMILESCc1c(O)c(=O)ccn1CNCn1cc(-c2ccccn2)nn1
InChIInChI=1S/C15H16N6O2/c1-11-15(23)14(22)5-7-20(11)9-16-10-21-8-13(18-19-21)12-4-2-3-6-17-12/h2-8,16,23H,9-10H2,1H3
InChIKeyLRWFYNXROZMWAF-UHFFFAOYSA-N
XLogP0.72
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-hydroxy-2-methyl-1-[6-[4-(4-phenylphenyl)triazol-1-yl]hexyl]pyridin-4-one
CID 139511991
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine
CID 102291275
7-(4-pyridin-2-yltriazol-1-yl)heptan-2-one
CID 167561665
3-[[2-(4-pyridin-2-yltriazol-1-yl)acetyl]amino]propanoic acid
CID 132605658
trimethyl-[4-(4-pyridin-2-yltriazol-1-yl)butyl]azanium
CID 71725787
2,4-dimethyl-5-(4-pyridin-2-yltriazol-1-yl)pentanal
CID 145226871
tris(1-butyl-3-hydroxy-2-methylpyridin-4-one);iron
CID 10531560
ethyl 2-(3-pyridin-2-ylpyrazol-1-yl)acetate
CID 11729213
2-(2-pyridin-2-ylimidazol-1-yl)acetamide
CID 82558916
5-(1-butyltriazol-4-yl)-2-[5-(1-butyltriazol-4-yl)-2-pyridinyl]pyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihexafluorophosphate
CID 139108058
1-[6-[4-[4-[[2-[4-[(E)-1,2-diphenylbut-1-enyl]cyclohexa-1,3-dien-1-yl]oxyethyl-methylamino]methyl]phenyl]triazol-1-yl]hexyl]-3-hydroxy-2-methylpyridin-4-one
CID 169026206
(2E)-2-[[4-(4-iodo-3-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-(4-pyridin-2-yltriazol-1-yl)propanoic acid
CID 88568646

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1-[[(4-pyridin-2-yltriazol-1-yl)methylamino]methyl]pyridin-4-one?
The IUPAC name of 3-hydroxy-2-methyl-1-[[(4-pyridin-2-yltriazol-1-yl)methylamino]methyl]pyridin-4-one (CID 170097966) is 3-hydroxy-2-methyl-1-[[(4-pyridin-2-yltriazol-1-yl)methylamino]methyl]pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-methyl-1-[[(4-pyridin-2-yltriazol-1-yl)methylamino]methyl]pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-methyl-1-[[(4-pyridin-2-yltriazol-1-yl)methylamino]methyl]pyridin-4-one is Cc1c(O)c(=O)ccn1CNCn1cc(-c2ccccn2)nn1.
What is the InChIKey of 3-hydroxy-2-methyl-1-[[(4-pyridin-2-yltriazol-1-yl)methylamino]methyl]pyridin-4-one?
The InChIKey is LRWFYNXROZMWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-11-15(23)14(22)5-7-20(11)9-16-10-21-8-13(18-19-21)12-4-2-3-6-17-12/h2-8,16,23H,9-10H2,1H3.
What are the key properties of 3-hydroxy-2-methyl-1-[[(4-pyridin-2-yltriazol-1-yl)methylamino]methyl]pyridin-4-one?
3-hydroxy-2-methyl-1-[[(4-pyridin-2-yltriazol-1-yl)methylamino]methyl]pyridin-4-one has a molecular weight of 312.33 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-[[(4-pyridin-2-yltriazol-1-yl)methylamino]methyl]pyridin-4-one is sourced from PubChem (CID 170097966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).