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

C10H15N3O — CID 126953774

IUPAC5-cyclobutyl-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one
SMILESCn1nc(C2CCC2)n(C2CC2)c1=O
InChIInChI=1S/C10H15N3O/c1-12-10(14)13(8-5-6-8)9(11-12)7-3-2-4-7/h7-8H,2-6H2,1H3
InChIKeyQXAHXIQMJUNBCU-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.18
Rot. Bonds2

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

5-cyclobutyl-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one (PubChem CID 126953774) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-cyclobutyl-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-cyclobutyl-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one
PubChem CID126953774
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-cyclobutyl-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one
SMILESCn1nc(C2CCC2)n(C2CC2)c1=O
InChIInChI=1S/C10H15N3O/c1-12-10(14)13(8-5-6-8)9(11-12)7-3-2-4-7/h7-8H,2-6H2,1H3
InChIKeyQXAHXIQMJUNBCU-UHFFFAOYSA-N
XLogP1.18
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyl-1-methyl-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953782
3,4-dicyclopropyl-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 18737973
4-Cyclopropyl-5-ethyl-2-methyl-1,2,4-triazol-3-one
CID 18737977
4,5-Dicyclopropyl-2-ethyl-1,2,4-triazol-3-one
CID 20731862
5-Cyclopropyl-2-methyl-4-propyl-1,2,4-triazol-3-one
CID 22091023
4-(cyclopropylmethyl)-1,3-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 22973885
4-(Cyclopropylmethyl)-5-ethyl-2-methyl-1,2,4-triazol-3-one
CID 22973887
3-butan-2-yl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 58460115
5-Butyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 89041769
4-Cyclopropyl-2-methyl-5-propyl-1,2,4-triazol-3-one
CID 141859102
4-(Cyclopropylmethyl)-2-methyl-5-propyl-1,2,4-triazol-3-one
CID 147441327
5-Cyclopropyl-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 178109233

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 5-cyclobutyl-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one (CID 126953774) is 5-cyclobutyl-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-cyclobutyl-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-cyclobutyl-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one is Cn1nc(C2CCC2)n(C2CC2)c1=O.
What is the InChIKey of 5-cyclobutyl-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one?
The InChIKey is QXAHXIQMJUNBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-12-10(14)13(8-5-6-8)9(11-12)7-3-2-4-7/h7-8H,2-6H2,1H3.
What are the key properties of 5-cyclobutyl-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one?
5-cyclobutyl-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one has a molecular weight of 193.25 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-4-cyclopropyl-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 126953774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).