N-methyl-3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C12H15N5O2 — CID 64512605

IUPACN-methyl-3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCN(Cc1ncn[nH]1)C(=O)CCn1ccccc1=O
InChIInChI=1S/C12H15N5O2/c1-16(8-10-13-9-14-15-10)11(18)5-7-17-6-3-2-4-12(17)19/h2-4,6,9H,5,7-8H2,1H3,(H,13,14,15)
InChIKeyQAPFNLKTXDJDQC-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.02
Rot. Bonds5

About N-methyl-3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

N-methyl-3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 64512605) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-methyl-3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID64512605
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-methyl-3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCN(Cc1ncn[nH]1)C(=O)CCn1ccccc1=O
InChIInChI=1S/C12H15N5O2/c1-16(8-10-13-9-14-15-10)11(18)5-7-17-6-3-2-4-12(17)19/h2-4,6,9H,5,7-8H2,1H3,(H,13,14,15)
InChIKeyQAPFNLKTXDJDQC-UHFFFAOYSA-N
XLogP0.02
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of N-methyl-3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 64512605) is N-methyl-3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for N-methyl-3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is CN(Cc1ncn[nH]1)C(=O)CCn1ccccc1=O.
What is the InChIKey of N-methyl-3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is QAPFNLKTXDJDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-16(8-10-13-9-14-15-10)11(18)5-7-17-6-3-2-4-12(17)19/h2-4,6,9H,5,7-8H2,1H3,(H,13,14,15).
What are the key properties of N-methyl-3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
N-methyl-3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 261.28 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 64512605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).