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

C7H12N4O — CID 107410862

IUPAC4-(2-aminocyclopentyl)-1H-1,2,4-triazol-5-one
SMILESNC1CCCC1n1cn[nH]c1=O
InChIInChI=1S/C7H12N4O/c8-5-2-1-3-6(5)11-4-9-10-7(11)12/h4-6H,1-3,8H2,(H,10,12)
InChIKeyBCGKJLFMCAPVCS-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.38
Rot. Bonds1

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

4-(2-aminocyclopentyl)-1H-1,2,4-triazol-5-one (PubChem CID 107410862) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-(2-aminocyclopentyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(2-aminocyclopentyl)-1H-1,2,4-triazol-5-one
PubChem CID107410862
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name4-(2-aminocyclopentyl)-1H-1,2,4-triazol-5-one
SMILESNC1CCCC1n1cn[nH]c1=O
InChIInChI=1S/C7H12N4O/c8-5-2-1-3-6(5)11-4-9-10-7(11)12/h4-6H,1-3,8H2,(H,10,12)
InChIKeyBCGKJLFMCAPVCS-UHFFFAOYSA-N
XLogP-0.38
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocyclopentyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(2-aminocyclopentyl)-1H-1,2,4-triazol-5-one (CID 107410862) is 4-(2-aminocyclopentyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(2-aminocyclopentyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(2-aminocyclopentyl)-1H-1,2,4-triazol-5-one is NC1CCCC1n1cn[nH]c1=O.
What is the InChIKey of 4-(2-aminocyclopentyl)-1H-1,2,4-triazol-5-one?
The InChIKey is BCGKJLFMCAPVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-5-2-1-3-6(5)11-4-9-10-7(11)12/h4-6H,1-3,8H2,(H,10,12).
What are the key properties of 4-(2-aminocyclopentyl)-1H-1,2,4-triazol-5-one?
4-(2-aminocyclopentyl)-1H-1,2,4-triazol-5-one has a molecular weight of 168.20 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocyclopentyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 107410862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).