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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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).