1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine

C11H20N4O — CID 62480751

IUPAC1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C11H20N4O/c1-16-7-6-9(12)11-13-10(14-15-11)8-4-2-3-5-8/h8-9H,2-7,12H2,1H3,(H,13,14,15)
InChIKeyFFMJQXQBGIFFCY-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.50
Rot. Bonds5

About 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine

1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine (PubChem CID 62480751) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
PubChem CID62480751
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C11H20N4O/c1-16-7-6-9(12)11-13-10(14-15-11)8-4-2-3-5-8/h8-9H,2-7,12H2,1H3,(H,13,14,15)
InChIKeyFFMJQXQBGIFFCY-UHFFFAOYSA-N
XLogP1.50
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine?
The IUPAC name of 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine (CID 62480751) is 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine.
What is the SMILES notation for 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine?
The canonical SMILES for 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine is COCCC(N)c1n[nH]c(C2CCCC2)n1.
What is the InChIKey of 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine?
The InChIKey is FFMJQXQBGIFFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-16-7-6-9(12)11-13-10(14-15-11)8-4-2-3-5-8/h8-9H,2-7,12H2,1H3,(H,13,14,15).
What are the key properties of 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine?
1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine has a molecular weight of 224.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine is sourced from PubChem (CID 62480751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).