1-methyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one

C10H13N5O — CID 62755799

IUPAC1-methyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one
SMILESCn1cc(CNc2ccc(=O)n(C)c2)nn1
InChIInChI=1S/C10H13N5O/c1-14-6-8(3-4-10(14)16)11-5-9-7-15(2)13-12-9/h3-4,6-7,11H,5H2,1-2H3
InChIKeyCQOHMRJROXEBSI-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.13
Rot. Bonds3

About 1-methyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one

1-methyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one (PubChem CID 62755799) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-methyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one
PubChem CID62755799
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1-methyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one
SMILESCn1cc(CNc2ccc(=O)n(C)c2)nn1
InChIInChI=1S/C10H13N5O/c1-14-6-8(3-4-10(14)16)11-5-9-7-15(2)13-12-9/h3-4,6-7,11H,5H2,1-2H3
InChIKeyCQOHMRJROXEBSI-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one?
The IUPAC name of 1-methyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one (CID 62755799) is 1-methyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one is Cn1cc(CNc2ccc(=O)n(C)c2)nn1.
What is the InChIKey of 1-methyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one?
The InChIKey is CQOHMRJROXEBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-14-6-8(3-4-10(14)16)11-5-9-7-15(2)13-12-9/h3-4,6-7,11H,5H2,1-2H3.
What are the key properties of 1-methyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one?
1-methyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one has a molecular weight of 219.25 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one is sourced from PubChem (CID 62755799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).