1-methyl-4-[4-(methylaminomethyl)triazol-1-yl]pyridin-2-one

C10H13N5O — CID 174175800

IUPAC1-methyl-4-[4-(methylaminomethyl)triazol-1-yl]pyridin-2-one
SMILESCNCc1cn(-c2ccn(C)c(=O)c2)nn1
InChIInChI=1S/C10H13N5O/c1-11-6-8-7-15(13-12-8)9-3-4-14(2)10(16)5-9/h3-5,7,11H,6H2,1-2H3
InChIKeyZKBQNUUVUKMWNG-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.31
Rot. Bonds3

About 1-methyl-4-[4-(methylaminomethyl)triazol-1-yl]pyridin-2-one

1-methyl-4-[4-(methylaminomethyl)triazol-1-yl]pyridin-2-one (PubChem CID 174175800) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-methyl-4-[4-(methylaminomethyl)triazol-1-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-(methylaminomethyl)triazol-1-yl]pyridin-2-one
PubChem CID174175800
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1-methyl-4-[4-(methylaminomethyl)triazol-1-yl]pyridin-2-one
SMILESCNCc1cn(-c2ccn(C)c(=O)c2)nn1
InChIInChI=1S/C10H13N5O/c1-11-6-8-7-15(13-12-8)9-3-4-14(2)10(16)5-9/h3-5,7,11H,6H2,1-2H3
InChIKeyZKBQNUUVUKMWNG-UHFFFAOYSA-N
XLogP-0.31
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(methylaminomethyl)triazol-1-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[4-(methylaminomethyl)triazol-1-yl]pyridin-2-one (CID 174175800) is 1-methyl-4-[4-(methylaminomethyl)triazol-1-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[4-(methylaminomethyl)triazol-1-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[4-(methylaminomethyl)triazol-1-yl]pyridin-2-one is CNCc1cn(-c2ccn(C)c(=O)c2)nn1.
What is the InChIKey of 1-methyl-4-[4-(methylaminomethyl)triazol-1-yl]pyridin-2-one?
The InChIKey is ZKBQNUUVUKMWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-11-6-8-7-15(13-12-8)9-3-4-14(2)10(16)5-9/h3-5,7,11H,6H2,1-2H3.
What are the key properties of 1-methyl-4-[4-(methylaminomethyl)triazol-1-yl]pyridin-2-one?
1-methyl-4-[4-(methylaminomethyl)triazol-1-yl]pyridin-2-one has a molecular weight of 219.25 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(methylaminomethyl)triazol-1-yl]pyridin-2-one is sourced from PubChem (CID 174175800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).