2-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-one

C6H9N3O — CID 156528431

IUPAC2-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-one
SMILESCc1nn(C2CC2)c(=O)[nH]1
InChIInChI=1S/C6H9N3O/c1-4-7-6(10)9(8-4)5-2-3-5/h5H,2-3H2,1H3,(H,7,8,10)
InChIKeyTXOADENVNGSCLR-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.21
Rot. Bonds1

About 2-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-one

2-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-one (PubChem CID 156528431) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-one
PubChem CID156528431
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-one
SMILESCc1nn(C2CC2)c(=O)[nH]1
InChIInChI=1S/C6H9N3O/c1-4-7-6(10)9(8-4)5-2-3-5/h5H,2-3H2,1H3,(H,7,8,10)
InChIKeyTXOADENVNGSCLR-UHFFFAOYSA-N
XLogP0.21
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-5-methyl-4H-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

Related Compounds

3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 136340527
5-ethyl-2-methyl-4H-1,2,4-triazol-3-one
CID 136313162
2-cyclopentyl-5-methyl-4H-1,2,4-triazol-3-one
CID 135698166
2-ethyl-5-methyl-4H-1,2,4-triazol-3-one
CID 135722089
2,5-di(propan-2-yl)-4H-1,2,4-triazol-3-one
CID 135973345
2,5-diethyl-4H-1,2,4-triazol-3-one
CID 136474511
5-(1-methylcyclopropyl)-2-propan-2-yl-4H-1,2,4-triazol-3-one
CID 153120403
ethane;2-ethyl-5-methyl-4H-1,2,4-triazol-3-one;methane;propane
CID 161525270
2-ethyl-5-propan-2-yl-4H-1,2,4-triazol-3-one
CID 166948730
5-butyl-2-cyclopropyl-4H-1,2,4-triazol-3-one
CID 176721463
5-cyclopropyl-2-methyl-4H-1,2,4-triazol-3-one
CID 136313165
2-(2-aminopropyl)-5-methyl-4H-1,2,4-triazol-3-one
CID 136313174

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 2-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-one (CID 156528431) is 2-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 2-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 2-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-one is Cc1nn(C2CC2)c(=O)[nH]1.
What is the InChIKey of 2-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-one?
The InChIKey is TXOADENVNGSCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-7-6(10)9(8-4)5-2-3-5/h5H,2-3H2,1H3,(H,7,8,10).
What are the key properties of 2-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-one?
2-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-one has a molecular weight of 139.16 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 156528431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).