1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methoxybutan-1-amine

C10H18N4O — CID 81082373

IUPAC1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)c1nncn1C1CC1
InChIInChI=1S/C10H18N4O/c1-15-6-2-3-9(11)10-13-12-7-14(10)8-4-5-8/h7-9H,2-6,11H2,1H3
InChIKeyGDXXAJBBOFIZPH-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.04
Rot. Bonds6

About 1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methoxybutan-1-amine

1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methoxybutan-1-amine (PubChem CID 81082373) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methoxybutan-1-amine.

Molecular Properties

Compound Name1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methoxybutan-1-amine
PubChem CID81082373
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methoxybutan-1-amine
SMILESCOCCCC(N)c1nncn1C1CC1
InChIInChI=1S/C10H18N4O/c1-15-6-2-3-9(11)10-13-12-7-14(10)8-4-5-8/h7-9H,2-6,11H2,1H3
InChIKeyGDXXAJBBOFIZPH-UHFFFAOYSA-N
XLogP1.04
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methoxybutan-1-amine?
The IUPAC name of 1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methoxybutan-1-amine (CID 81082373) is 1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methoxybutan-1-amine.
What is the SMILES notation for 1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methoxybutan-1-amine?
The canonical SMILES for 1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methoxybutan-1-amine is COCCCC(N)c1nncn1C1CC1.
What is the InChIKey of 1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methoxybutan-1-amine?
The InChIKey is GDXXAJBBOFIZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-15-6-2-3-9(11)10-13-12-7-14(10)8-4-5-8/h7-9H,2-6,11H2,1H3.
What are the key properties of 1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methoxybutan-1-amine?
1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methoxybutan-1-amine has a molecular weight of 210.28 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-methoxybutan-1-amine is sourced from PubChem (CID 81082373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).