3-(1-aminobutyl)-4-cyclobutyl-1H-1,2,4-triazol-5-one

C10H18N4O — CID 102655004

IUPAC3-(1-aminobutyl)-4-cyclobutyl-1H-1,2,4-triazol-5-one
SMILESCCCC(N)c1n[nH]c(=O)n1C1CCC1
InChIInChI=1S/C10H18N4O/c1-2-4-8(11)9-12-13-10(15)14(9)7-5-3-6-7/h7-8H,2-6,11H2,1H3,(H,13,15)
InChIKeySXAUWHUDUHWLFO-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.10
Rot. Bonds4

About 3-(1-aminobutyl)-4-cyclobutyl-1H-1,2,4-triazol-5-one

3-(1-aminobutyl)-4-cyclobutyl-1H-1,2,4-triazol-5-one (PubChem CID 102655004) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(1-aminobutyl)-4-cyclobutyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-(1-aminobutyl)-4-cyclobutyl-1H-1,2,4-triazol-5-one
PubChem CID102655004
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-(1-aminobutyl)-4-cyclobutyl-1H-1,2,4-triazol-5-one
SMILESCCCC(N)c1n[nH]c(=O)n1C1CCC1
InChIInChI=1S/C10H18N4O/c1-2-4-8(11)9-12-13-10(15)14(9)7-5-3-6-7/h7-8H,2-6,11H2,1H3,(H,13,15)
InChIKeySXAUWHUDUHWLFO-UHFFFAOYSA-N
XLogP1.10
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminobutyl)-4-cyclobutyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-(1-aminobutyl)-4-cyclobutyl-1H-1,2,4-triazol-5-one (CID 102655004) is 3-(1-aminobutyl)-4-cyclobutyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-(1-aminobutyl)-4-cyclobutyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-(1-aminobutyl)-4-cyclobutyl-1H-1,2,4-triazol-5-one is CCCC(N)c1n[nH]c(=O)n1C1CCC1.
What is the InChIKey of 3-(1-aminobutyl)-4-cyclobutyl-1H-1,2,4-triazol-5-one?
The InChIKey is SXAUWHUDUHWLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-4-8(11)9-12-13-10(15)14(9)7-5-3-6-7/h7-8H,2-6,11H2,1H3,(H,13,15).
What are the key properties of 3-(1-aminobutyl)-4-cyclobutyl-1H-1,2,4-triazol-5-one?
3-(1-aminobutyl)-4-cyclobutyl-1H-1,2,4-triazol-5-one has a molecular weight of 210.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminobutyl)-4-cyclobutyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 102655004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).