2-methyl-5-(methylamino)-4-propan-2-yl-1,2,4-triazol-3-one

C7H14N4O — CID 82841873

IUPAC2-methyl-5-(methylamino)-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCNc1nn(C)c(=O)n1C(C)C
InChIInChI=1S/C7H14N4O/c1-5(2)11-6(8-3)9-10(4)7(11)12/h5H,1-4H3,(H,8,9)
InChIKeyDKSWOZWPYDODQO-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.20
Rot. Bonds2

About 2-methyl-5-(methylamino)-4-propan-2-yl-1,2,4-triazol-3-one

2-methyl-5-(methylamino)-4-propan-2-yl-1,2,4-triazol-3-one (PubChem CID 82841873) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-methyl-5-(methylamino)-4-propan-2-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-methyl-5-(methylamino)-4-propan-2-yl-1,2,4-triazol-3-one
PubChem CID82841873
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name2-methyl-5-(methylamino)-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCNc1nn(C)c(=O)n1C(C)C
InChIInChI=1S/C7H14N4O/c1-5(2)11-6(8-3)9-10(4)7(11)12/h5H,1-4H3,(H,8,9)
InChIKeyDKSWOZWPYDODQO-UHFFFAOYSA-N
XLogP0.20
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-(methylamino)-4-propan-2-yl-1,2,4-triazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylamino)-4-propan-2-yl-1,2,4-triazol-3-one?
The IUPAC name of 2-methyl-5-(methylamino)-4-propan-2-yl-1,2,4-triazol-3-one (CID 82841873) is 2-methyl-5-(methylamino)-4-propan-2-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-methyl-5-(methylamino)-4-propan-2-yl-1,2,4-triazol-3-one?
The canonical SMILES for 2-methyl-5-(methylamino)-4-propan-2-yl-1,2,4-triazol-3-one is CNc1nn(C)c(=O)n1C(C)C.
What is the InChIKey of 2-methyl-5-(methylamino)-4-propan-2-yl-1,2,4-triazol-3-one?
The InChIKey is DKSWOZWPYDODQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-5(2)11-6(8-3)9-10(4)7(11)12/h5H,1-4H3,(H,8,9).
What are the key properties of 2-methyl-5-(methylamino)-4-propan-2-yl-1,2,4-triazol-3-one?
2-methyl-5-(methylamino)-4-propan-2-yl-1,2,4-triazol-3-one has a molecular weight of 170.22 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylamino)-4-propan-2-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 82841873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).