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

C9H16N4O — CID 81480105

IUPAC3-(1-aminocyclopentyl)-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCn1c(C2(N)CCCC2)n[nH]c1=O
InChIInChI=1S/C9H16N4O/c1-2-13-7(11-12-8(13)14)9(10)5-3-4-6-9/h2-6,10H2,1H3,(H,12,14)
InChIKeyMIWUAJIWUFIHSA-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.32
Rot. Bonds2

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

3-(1-aminocyclopentyl)-4-ethyl-1H-1,2,4-triazol-5-one (PubChem CID 81480105) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(1-aminocyclopentyl)-4-ethyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(1-aminocyclopentyl)-4-ethyl-1H-1,2,4-triazol-5-one
PubChem CID81480105
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-(1-aminocyclopentyl)-4-ethyl-1H-1,2,4-triazol-5-one
SMILESCCn1c(C2(N)CCCC2)n[nH]c1=O
InChIInChI=1S/C9H16N4O/c1-2-13-7(11-12-8(13)14)9(10)5-3-4-6-9/h2-6,10H2,1H3,(H,12,14)
InChIKeyMIWUAJIWUFIHSA-UHFFFAOYSA-N
XLogP0.32
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminocyclopentyl)-4-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-one
CID 116013739
3-(1-aminocyclohexyl)-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 81479712
3-(1-aminocyclohexyl)-4-cyclopentyl-1H-1,2,4-triazol-5-one
CID 81479713
3-(1-aminocyclopentyl)-4-butyl-1H-1,2,4-triazol-5-one
CID 81480104
3-(1-aminocyclohexyl)-4-cyclohexyl-1H-1,2,4-triazol-5-one
CID 81480113
3-(2-aminopropan-2-yl)-4-butyl-1H-1,2,4-triazol-5-one
CID 81480288
3-(1-aminocyclohexyl)-4-butyl-1H-1,2,4-triazol-5-one
CID 81480300
3-(1-aminocyclohexyl)-4-ethyl-1H-1,2,4-triazol-5-one
CID 81480301
3-(1-aminocyclopentyl)-4-tert-butyl-1H-1,2,4-triazol-5-one
CID 81481058
3-(1-aminocyclopentyl)-4-propyl-1H-1,2,4-triazol-5-one
CID 81481059
3-(2-aminopropan-2-yl)-4-propyl-1H-1,2,4-triazol-5-one
CID 81481257
3-(1-aminocyclopentyl)-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 81481260

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclopentyl)-4-ethyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(1-aminocyclopentyl)-4-ethyl-1H-1,2,4-triazol-5-one (CID 81480105) is 3-(1-aminocyclopentyl)-4-ethyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(1-aminocyclopentyl)-4-ethyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(1-aminocyclopentyl)-4-ethyl-1H-1,2,4-triazol-5-one is CCn1c(C2(N)CCCC2)n[nH]c1=O.
What is the InChIKey of 3-(1-aminocyclopentyl)-4-ethyl-1H-1,2,4-triazol-5-one?
The InChIKey is MIWUAJIWUFIHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-13-7(11-12-8(13)14)9(10)5-3-4-6-9/h2-6,10H2,1H3,(H,12,14).
What are the key properties of 3-(1-aminocyclopentyl)-4-ethyl-1H-1,2,4-triazol-5-one?
3-(1-aminocyclopentyl)-4-ethyl-1H-1,2,4-triazol-5-one has a molecular weight of 196.25 g/mol, XLogP of 0.32, 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-ethyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 81480105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).