3-(2-aminoethyl)-4-cyclopentyl-1H-1,2,4-triazol-5-one

C9H16N4O — CID 81481408

IUPAC3-(2-aminoethyl)-4-cyclopentyl-1H-1,2,4-triazol-5-one
SMILESNCCc1n[nH]c(=O)n1C1CCCC1
InChIInChI=1S/C9H16N4O/c10-6-5-8-11-12-9(14)13(8)7-3-1-2-4-7/h7H,1-6,10H2,(H,12,14)
InChIKeySNGDPLOCTDGMIN-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.19
Rot. Bonds3

About 3-(2-aminoethyl)-4-cyclopentyl-1H-1,2,4-triazol-5-one

3-(2-aminoethyl)-4-cyclopentyl-1H-1,2,4-triazol-5-one (PubChem CID 81481408) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(2-aminoethyl)-4-cyclopentyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-4-cyclopentyl-1H-1,2,4-triazol-5-one
PubChem CID81481408
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-(2-aminoethyl)-4-cyclopentyl-1H-1,2,4-triazol-5-one
SMILESNCCc1n[nH]c(=O)n1C1CCCC1
InChIInChI=1S/C9H16N4O/c10-6-5-8-11-12-9(14)13(8)7-3-1-2-4-7/h7H,1-6,10H2,(H,12,14)
InChIKeySNGDPLOCTDGMIN-UHFFFAOYSA-N
XLogP0.19
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-4-cyclopentyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(2-aminoethyl)-4-cyclopentyl-1H-1,2,4-triazol-5-one (CID 81481408) is 3-(2-aminoethyl)-4-cyclopentyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(2-aminoethyl)-4-cyclopentyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(2-aminoethyl)-4-cyclopentyl-1H-1,2,4-triazol-5-one is NCCc1n[nH]c(=O)n1C1CCCC1.
What is the InChIKey of 3-(2-aminoethyl)-4-cyclopentyl-1H-1,2,4-triazol-5-one?
The InChIKey is SNGDPLOCTDGMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c10-6-5-8-11-12-9(14)13(8)7-3-1-2-4-7/h7H,1-6,10H2,(H,12,14).
What are the key properties of 3-(2-aminoethyl)-4-cyclopentyl-1H-1,2,4-triazol-5-one?
3-(2-aminoethyl)-4-cyclopentyl-1H-1,2,4-triazol-5-one has a molecular weight of 196.25 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-4-cyclopentyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 81481408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).