3-(cyclopropylmethyl)-4-methyl-1H-1,2,4-triazol-5-one

C7H11N3O — CID 162730213

IUPAC3-(cyclopropylmethyl)-4-methyl-1H-1,2,4-triazol-5-one
SMILESCn1c(CC2CC2)n[nH]c1=O
InChIInChI=1S/C7H11N3O/c1-10-6(4-5-2-3-5)8-9-7(10)11/h5H,2-4H2,1H3,(H,9,11)
InChIKeyXVWNSPHUDVFLKP-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.06
Rot. Bonds2

About 3-(cyclopropylmethyl)-4-methyl-1H-1,2,4-triazol-5-one

3-(cyclopropylmethyl)-4-methyl-1H-1,2,4-triazol-5-one (PubChem CID 162730213) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-4-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-4-methyl-1H-1,2,4-triazol-5-one
PubChem CID162730213
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name3-(cyclopropylmethyl)-4-methyl-1H-1,2,4-triazol-5-one
SMILESCn1c(CC2CC2)n[nH]c1=O
InChIInChI=1S/C7H11N3O/c1-10-6(4-5-2-3-5)8-9-7(10)11/h5H,2-4H2,1H3,(H,9,11)
InChIKeyXVWNSPHUDVFLKP-UHFFFAOYSA-N
XLogP0.06
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(cyclopropylmethyl)-4-methyl-1H-1,2,4-triazol-5-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-cyclopropyl-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 129980768
4-methyl-3-propyl-1H-1,2,4-triazol-5-one
CID 12235073
3-cyclopropyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 57927625
3-butan-2-yl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 58460115
3-cyclopropyl-4-(dimethylamino)-1H-1,2,4-triazol-5-one
CID 117763722
4-(cyclopropylmethyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953667
3-cyclobutyl-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953775
3-cyclopentyl-4-methyl-1H-1,2,4-triazol-5-one
CID 129980767
4-methyl-3-propan-2-yl-1H-1,2,4-triazol-5-one
CID 129980770
3-butan-2-yl-4-methyl-1H-1,2,4-triazol-5-one
CID 142335813
3-cyclobutyl-4-(cyclopropylmethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953771
3-cyclobutyl-4-cyclopropyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953773

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-4-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(cyclopropylmethyl)-4-methyl-1H-1,2,4-triazol-5-one (CID 162730213) is 3-(cyclopropylmethyl)-4-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-4-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(cyclopropylmethyl)-4-methyl-1H-1,2,4-triazol-5-one is Cn1c(CC2CC2)n[nH]c1=O.
What is the InChIKey of 3-(cyclopropylmethyl)-4-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is XVWNSPHUDVFLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-10-6(4-5-2-3-5)8-9-7(10)11/h5H,2-4H2,1H3,(H,9,11).
What are the key properties of 3-(cyclopropylmethyl)-4-methyl-1H-1,2,4-triazol-5-one?
3-(cyclopropylmethyl)-4-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 153.19 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-4-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 162730213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).