4-[4-(1-aminocyclohexyl)triazol-1-yl]butan-1-ol

C12H22N4O — CID 118334007

IUPAC4-[4-(1-aminocyclohexyl)triazol-1-yl]butan-1-ol
SMILESNC1(c2cn(CCCCO)nn2)CCCCC1
InChIInChI=1S/C12H22N4O/c13-12(6-2-1-3-7-12)11-10-16(15-14-11)8-4-5-9-17/h10,17H,1-9,13H2
InChIKeyBJCGKRPSWVCOHF-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.17
Rot. Bonds5

About 4-[4-(1-aminocyclohexyl)triazol-1-yl]butan-1-ol

4-[4-(1-aminocyclohexyl)triazol-1-yl]butan-1-ol (PubChem CID 118334007) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[4-(1-aminocyclohexyl)triazol-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-(1-aminocyclohexyl)triazol-1-yl]butan-1-ol
PubChem CID118334007
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-[4-(1-aminocyclohexyl)triazol-1-yl]butan-1-ol
SMILESNC1(c2cn(CCCCO)nn2)CCCCC1
InChIInChI=1S/C12H22N4O/c13-12(6-2-1-3-7-12)11-10-16(15-14-11)8-4-5-9-17/h10,17H,1-9,13H2
InChIKeyBJCGKRPSWVCOHF-UHFFFAOYSA-N
XLogP1.17
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(Cyclohexylmethyl)triazol-4-yl]propan-1-ol
CID 24789332
2-Amino-2-(1-heptyltriazol-4-yl)propane-1,3-diol
CID 151179162
2-Amino-2-(1-octyltriazol-4-yl)propane-1,3-diol
CID 152009159
2-Amino-2-(1-hexyltriazol-4-yl)propane-1,3-diol
CID 152564294
2-Amino-2-(1-nonyltriazol-4-yl)propane-1,3-diol
CID 152692823
2-amino-2-(1-nonyl-1H-1,2,3-triazol-4-yl)propane-1,3-diol hydrochloride
CID 153357652
2-(4-Cyclohexyltriazol-1-yl)ethanol
CID 57222357
1-(1-Methyl-1h-1,2,3-triazol-4-yl)cyclohexan-1-amine
CID 58281238
1-(1-Propan-2-yltriazol-4-yl)cyclohexan-1-amine
CID 59680727
3-[4-(2-Cyclohexylethyl)triazol-1-yl]propan-1-ol
CID 71668151
2-Amino-2-[(1-icosyltriazol-4-yl)methyl]propane-1,3-diol;hydrochloride
CID 122701082
2-Amino-2-[(1-tetradecyltriazol-4-yl)methyl]propane-1,3-diol;hydrochloride
CID 122701091

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminocyclohexyl)triazol-1-yl]butan-1-ol?
The IUPAC name of 4-[4-(1-aminocyclohexyl)triazol-1-yl]butan-1-ol (CID 118334007) is 4-[4-(1-aminocyclohexyl)triazol-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-(1-aminocyclohexyl)triazol-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-(1-aminocyclohexyl)triazol-1-yl]butan-1-ol is NC1(c2cn(CCCCO)nn2)CCCCC1.
What is the InChIKey of 4-[4-(1-aminocyclohexyl)triazol-1-yl]butan-1-ol?
The InChIKey is BJCGKRPSWVCOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c13-12(6-2-1-3-7-12)11-10-16(15-14-11)8-4-5-9-17/h10,17H,1-9,13H2.
What are the key properties of 4-[4-(1-aminocyclohexyl)triazol-1-yl]butan-1-ol?
4-[4-(1-aminocyclohexyl)triazol-1-yl]butan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminocyclohexyl)triazol-1-yl]butan-1-ol is sourced from PubChem (CID 118334007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).