[1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclohexyl]methanol

C13H24N4O — CID 81413588

IUPAC[1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclohexyl]methanol
SMILESCC(NCC1(CO)CCCCC1)c1nncn1C
InChIInChI=1S/C13H24N4O/c1-11(12-16-15-10-17(12)2)14-8-13(9-18)6-4-3-5-7-13/h10-11,14,18H,3-9H2,1-2H3
InChIKeyAWUSLBCEYBPFFV-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.41
Rot. Bonds5

About [1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclohexyl]methanol

[1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclohexyl]methanol (PubChem CID 81413588) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is [1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclohexyl]methanol
PubChem CID81413588
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name[1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclohexyl]methanol
SMILESCC(NCC1(CO)CCCCC1)c1nncn1C
InChIInChI=1S/C13H24N4O/c1-11(12-16-15-10-17(12)2)14-8-13(9-18)6-4-3-5-7-13/h10-11,14,18H,3-9H2,1-2H3
InChIKeyAWUSLBCEYBPFFV-UHFFFAOYSA-N
XLogP1.41
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclohexyl]methanol (CID 81413588) is [1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclohexyl]methanol is CC(NCC1(CO)CCCCC1)c1nncn1C.
What is the InChIKey of [1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is AWUSLBCEYBPFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(12-16-15-10-17(12)2)14-8-13(9-18)6-4-3-5-7-13/h10-11,14,18H,3-9H2,1-2H3.
What are the key properties of [1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclohexyl]methanol?
[1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclohexyl]methanol has a molecular weight of 252.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 81413588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).