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

C11H17N3O — CID 126953720

IUPAC4-cyclopentyl-5-cyclopropyl-2-methyl-1,2,4-triazol-3-one
SMILESCn1nc(C2CC2)n(C2CCCC2)c1=O
InChIInChI=1S/C11H17N3O/c1-13-11(15)14(9-4-2-3-5-9)10(12-13)8-6-7-8/h8-9H,2-7H2,1H3
InChIKeyCGVPNOHGQSXSMT-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.57
Rot. Bonds2

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

4-cyclopentyl-5-cyclopropyl-2-methyl-1,2,4-triazol-3-one (PubChem CID 126953720) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-cyclopentyl-5-cyclopropyl-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopentyl-5-cyclopropyl-2-methyl-1,2,4-triazol-3-one
PubChem CID126953720
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-cyclopentyl-5-cyclopropyl-2-methyl-1,2,4-triazol-3-one
SMILESCn1nc(C2CC2)n(C2CCCC2)c1=O
InChIInChI=1S/C11H17N3O/c1-13-11(15)14(9-4-2-3-5-9)10(12-13)8-6-7-8/h8-9H,2-7H2,1H3
InChIKeyCGVPNOHGQSXSMT-UHFFFAOYSA-N
XLogP1.57
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Cyclohexyl-5-ethyl-2-methyl-1,2,4-triazol-3-one
CID 172450434
3-cyclopentyl-1-methyl-4-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953787
4-cyclopentyl-3-(fluoromethyl)-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953627
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
2,4,5-Tri(propan-2-yl)-1,2,4-triazol-3-one
CID 20577288
4,5-Dicyclopropyl-2-ethyl-1,2,4-triazol-3-one
CID 20731862
2-Methyl-4,5-di(propan-2-yl)-1,2,4-triazol-3-one
CID 22091019
2-Methyl-4-propan-2-yl-5-propyl-1,2,4-triazol-3-one
CID 22091021
5-Butyl-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 22091022
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

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-5-cyclopropyl-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopentyl-5-cyclopropyl-2-methyl-1,2,4-triazol-3-one (CID 126953720) is 4-cyclopentyl-5-cyclopropyl-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopentyl-5-cyclopropyl-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopentyl-5-cyclopropyl-2-methyl-1,2,4-triazol-3-one is Cn1nc(C2CC2)n(C2CCCC2)c1=O.
What is the InChIKey of 4-cyclopentyl-5-cyclopropyl-2-methyl-1,2,4-triazol-3-one?
The InChIKey is CGVPNOHGQSXSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-11(15)14(9-4-2-3-5-9)10(12-13)8-6-7-8/h8-9H,2-7H2,1H3.
What are the key properties of 4-cyclopentyl-5-cyclopropyl-2-methyl-1,2,4-triazol-3-one?
4-cyclopentyl-5-cyclopropyl-2-methyl-1,2,4-triazol-3-one has a molecular weight of 207.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-5-cyclopropyl-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 126953720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).