3-(1-aminocyclopentyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one

C10H16N4O — CID 81481431

IUPAC3-(1-aminocyclopentyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one
SMILESNC1(c2n[nH]c(=O)n2C2CC2)CCCC1
InChIInChI=1S/C10H16N4O/c11-10(5-1-2-6-10)8-12-13-9(15)14(8)7-3-4-7/h7H,1-6,11H2,(H,13,15)
InChIKeyGMBUFDQKOBVXGF-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.63
Rot. Bonds2

About 3-(1-aminocyclopentyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one

3-(1-aminocyclopentyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one (PubChem CID 81481431) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(1-aminocyclopentyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(1-aminocyclopentyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one
PubChem CID81481431
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-(1-aminocyclopentyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one
SMILESNC1(c2n[nH]c(=O)n2C2CC2)CCCC1
InChIInChI=1S/C10H16N4O/c11-10(5-1-2-6-10)8-12-13-9(15)14(8)7-3-4-7/h7H,1-6,11H2,(H,13,15)
InChIKeyGMBUFDQKOBVXGF-UHFFFAOYSA-N
XLogP0.63
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclopentyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(1-aminocyclopentyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one (CID 81481431) is 3-(1-aminocyclopentyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(1-aminocyclopentyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(1-aminocyclopentyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one is NC1(c2n[nH]c(=O)n2C2CC2)CCCC1.
What is the InChIKey of 3-(1-aminocyclopentyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one?
The InChIKey is GMBUFDQKOBVXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-10(5-1-2-6-10)8-12-13-9(15)14(8)7-3-4-7/h7H,1-6,11H2,(H,13,15).
What are the key properties of 3-(1-aminocyclopentyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one?
3-(1-aminocyclopentyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one has a molecular weight of 208.26 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclopentyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 81481431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).