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

C12H22N4O — CID 55076429

IUPAC1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1nnc(C)n1C1CCCC1
InChIInChI=1S/C12H22N4O/c1-9-14-15-12(11(13)7-8-17-2)16(9)10-5-3-4-6-10/h10-11H,3-8,13H2,1-2H3
InChIKeyJJBJDQFPLLCPQP-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.74
Rot. Bonds5

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

1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine (PubChem CID 55076429) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
PubChem CID55076429
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1nnc(C)n1C1CCCC1
InChIInChI=1S/C12H22N4O/c1-9-14-15-12(11(13)7-8-17-2)16(9)10-5-3-4-6-10/h10-11H,3-8,13H2,1-2H3
InChIKeyJJBJDQFPLLCPQP-UHFFFAOYSA-N
XLogP1.74
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine?
The IUPAC name of 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine (CID 55076429) is 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine.
What is the SMILES notation for 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine?
The canonical SMILES for 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine is COCCC(N)c1nnc(C)n1C1CCCC1.
What is the InChIKey of 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine?
The InChIKey is JJBJDQFPLLCPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-14-15-12(11(13)7-8-17-2)16(9)10-5-3-4-6-10/h10-11H,3-8,13H2,1-2H3.
What are the key properties of 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine?
1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine is sourced from PubChem (CID 55076429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).