[1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol

C12H22N4O — CID 106281531

IUPAC[1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol
SMILESCC(NCC1(CO)CCCCC1)c1ncn[nH]1
InChIInChI=1S/C12H22N4O/c1-10(11-14-9-15-16-11)13-7-12(8-17)5-3-2-4-6-12/h9-10,13,17H,2-8H2,1H3,(H,14,15,16)
InChIKeyWHVWXZFEIZUPPW-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.40
Rot. Bonds5

About [1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol

[1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol (PubChem CID 106281531) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol
PubChem CID106281531
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol
SMILESCC(NCC1(CO)CCCCC1)c1ncn[nH]1
InChIInChI=1S/C12H22N4O/c1-10(11-14-9-15-16-11)13-7-12(8-17)5-3-2-4-6-12/h9-10,13,17H,2-8H2,1H3,(H,14,15,16)
InChIKeyWHVWXZFEIZUPPW-UHFFFAOYSA-N
XLogP1.40
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol
CID 81419096
N-(cyclooctylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 114207826
[1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965989
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 115363144
[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106758044
[1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412663
[1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81413588
[1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358873
[1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 81419006
[1-[[1-(2-chlorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 79985726
3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol
CID 81412551
[1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol
CID 81419393

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol (CID 106281531) is [1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol is CC(NCC1(CO)CCCCC1)c1ncn[nH]1.
What is the InChIKey of [1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is WHVWXZFEIZUPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(11-14-9-15-16-11)13-7-12(8-17)5-3-2-4-6-12/h9-10,13,17H,2-8H2,1H3,(H,14,15,16).
What are the key properties of [1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol?
[1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol has a molecular weight of 238.33 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 106281531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).