1-cyclohexylbenzotriazole

C12H15N3 — CID 3770740

IUPAC1-cyclohexylbenzotriazole
SMILESc1ccc2c(c1)nnn2C1CCCCC1
InChIInChI=1S/C12H15N3/c1-2-6-10(7-3-1)15-12-9-5-4-8-11(12)13-14-15/h4-5,8-10H,1-3,6-7H2
InChIKeyCQIAJKGKHAGBJE-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.94
Rot. Bonds1

About 1-cyclohexylbenzotriazole

1-cyclohexylbenzotriazole (PubChem CID 3770740) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-cyclohexylbenzotriazole.

Molecular Properties

Compound Name1-cyclohexylbenzotriazole
PubChem CID3770740
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1-cyclohexylbenzotriazole
SMILESc1ccc2c(c1)nnn2C1CCCCC1
InChIInChI=1S/C12H15N3/c1-2-6-10(7-3-1)15-12-9-5-4-8-11(12)13-14-15/h4-5,8-10H,1-3,6-7H2
InChIKeyCQIAJKGKHAGBJE-UHFFFAOYSA-N
XLogP2.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methylbenzotriazole
CID 25902
1H-Benzotriazole-1-propanoic acid
CID 563218
1H-Benzotriazol-1-ylacetic acid
CID 313450
1-Benzyl-1H-benzotriazole
CID 521212
1-Phenyl-1,2,3-benzotriazole
CID 136693
3-Benzotriazol-1-yl-butyric acid
CID 563322
1H-Benzotriazole-1-methanol
CID 224169
2-(1H-1,2,3-benzotriazol-1-yl)acetonitrile
CID 786302
(1H-1,2,3-Benzotriazol-1-ylmethyl)dimethylamine
CID 825297
1-Phenethyl-1H-benzo[d][1,2,3]triazole
CID 733621
1-[(4-Fluorophenyl)methyl]benzotriazole
CID 733622
3-(1H-benzotriazol-1-yl)propanenitrile
CID 243414

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylbenzotriazole?
The IUPAC name of 1-cyclohexylbenzotriazole (CID 3770740) is 1-cyclohexylbenzotriazole.
What is the SMILES notation for 1-cyclohexylbenzotriazole?
The canonical SMILES for 1-cyclohexylbenzotriazole is c1ccc2c(c1)nnn2C1CCCCC1.
What is the InChIKey of 1-cyclohexylbenzotriazole?
The InChIKey is CQIAJKGKHAGBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-6-10(7-3-1)15-12-9-5-4-8-11(12)13-14-15/h4-5,8-10H,1-3,6-7H2.
What are the key properties of 1-cyclohexylbenzotriazole?
1-cyclohexylbenzotriazole has a molecular weight of 201.27 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylbenzotriazole is sourced from PubChem (CID 3770740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).