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

C10H15N3O — CID 126953719

IUPAC4-cyclopentyl-3-cyclopropyl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(C2CC2)n1C1CCCC1
InChIInChI=1S/C10H15N3O/c14-10-12-11-9(7-5-6-7)13(10)8-3-1-2-4-8/h7-8H,1-6H2,(H,12,14)
InChIKeyAQATVRBJCAGXSZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.56
Rot. Bonds2

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

4-cyclopentyl-3-cyclopropyl-1H-1,2,4-triazol-5-one (PubChem CID 126953719) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-cyclopentyl-3-cyclopropyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopentyl-3-cyclopropyl-1H-1,2,4-triazol-5-one
PubChem CID126953719
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-cyclopentyl-3-cyclopropyl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(C2CC2)n1C1CCCC1
InChIInChI=1S/C10H15N3O/c14-10-12-11-9(7-5-6-7)13(10)8-3-1-2-4-8/h7-8H,1-6H2,(H,12,14)
InChIKeyAQATVRBJCAGXSZ-UHFFFAOYSA-N
XLogP1.56
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-cyclopropyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopentyl-3-cyclopropyl-1H-1,2,4-triazol-5-one (CID 126953719) is 4-cyclopentyl-3-cyclopropyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopentyl-3-cyclopropyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopentyl-3-cyclopropyl-1H-1,2,4-triazol-5-one is O=c1[nH]nc(C2CC2)n1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-3-cyclopropyl-1H-1,2,4-triazol-5-one?
The InChIKey is AQATVRBJCAGXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-10-12-11-9(7-5-6-7)13(10)8-3-1-2-4-8/h7-8H,1-6H2,(H,12,14).
What are the key properties of 4-cyclopentyl-3-cyclopropyl-1H-1,2,4-triazol-5-one?
4-cyclopentyl-3-cyclopropyl-1H-1,2,4-triazol-5-one has a molecular weight of 193.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-cyclopropyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 126953719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).