1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine

C12H22N4O — CID 62710743

IUPAC1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1nncn1C1CCCCC1
InChIInChI=1S/C12H22N4O/c1-17-8-7-11(13)12-15-14-9-16(12)10-5-3-2-4-6-10/h9-11H,2-8,13H2,1H3
InChIKeyUBWHMGBISMRPNO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.82
Rot. Bonds5

About 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine

1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine (PubChem CID 62710743) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
PubChem CID62710743
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1nncn1C1CCCCC1
InChIInChI=1S/C12H22N4O/c1-17-8-7-11(13)12-15-14-9-16(12)10-5-3-2-4-6-10/h9-11H,2-8,13H2,1H3
InChIKeyUBWHMGBISMRPNO-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine?
The IUPAC name of 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine (CID 62710743) is 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine.
What is the SMILES notation for 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine?
The canonical SMILES for 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine is COCCC(N)c1nncn1C1CCCCC1.
What is the InChIKey of 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine?
The InChIKey is UBWHMGBISMRPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-17-8-7-11(13)12-15-14-9-16(12)10-5-3-2-4-6-10/h9-11H,2-8,13H2,1H3.
What are the key properties of 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine?
1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine is sourced from PubChem (CID 62710743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).