2-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide

C7H12N4O2 — CID 136951774

IUPAC2-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C)C(=O)NCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C7H12N4O2/c1-4(2)6(12)8-3-5-9-7(13)11-10-5/h4H,3H2,1-2H3,(H,8,12)(H2,9,10,11,13)
InChIKeyVUHHQXCWBYFORH-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.63
Rot. Bonds3

About 2-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide

2-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 136951774) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID136951774
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name2-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C)C(=O)NCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C7H12N4O2/c1-4(2)6(12)8-3-5-9-7(13)11-10-5/h4H,3H2,1-2H3,(H,8,12)(H2,9,10,11,13)
InChIKeyVUHHQXCWBYFORH-UHFFFAOYSA-N
XLogP-0.63
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide (CID 136951774) is 2-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide is CC(C)C(=O)NCc1n[nH]c(=O)[nH]1.
What is the InChIKey of 2-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is VUHHQXCWBYFORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-4(2)6(12)8-3-5-9-7(13)11-10-5/h4H,3H2,1-2H3,(H,8,12)(H2,9,10,11,13).
What are the key properties of 2-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide?
2-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 184.20 g/mol, XLogP of -0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 136951774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).