5-bromo-1-(3,4-dimethylcyclohexyl)-1,2,4-triazol-3-amine

C10H17BrN4 — CID 165473225

IUPAC5-bromo-1-(3,4-dimethylcyclohexyl)-1,2,4-triazol-3-amine
SMILESCC1CCC(n2nc(N)nc2Br)CC1C
InChIInChI=1S/C10H17BrN4/c1-6-3-4-8(5-7(6)2)15-9(11)13-10(12)14-15/h6-8H,3-5H2,1-2H3,(H2,12,14)
InChIKeyJNUDHIUWSQSNLF-UHFFFAOYSA-N
MW273.18 g/mol
LogP2.62
Rot. Bonds1

About 5-bromo-1-(3,4-dimethylcyclohexyl)-1,2,4-triazol-3-amine

5-bromo-1-(3,4-dimethylcyclohexyl)-1,2,4-triazol-3-amine (PubChem CID 165473225) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is 5-bromo-1-(3,4-dimethylcyclohexyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-(3,4-dimethylcyclohexyl)-1,2,4-triazol-3-amine
PubChem CID165473225
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC Name5-bromo-1-(3,4-dimethylcyclohexyl)-1,2,4-triazol-3-amine
SMILESCC1CCC(n2nc(N)nc2Br)CC1C
InChIInChI=1S/C10H17BrN4/c1-6-3-4-8(5-7(6)2)15-9(11)13-10(12)14-15/h6-8H,3-5H2,1-2H3,(H2,12,14)
InChIKeyJNUDHIUWSQSNLF-UHFFFAOYSA-N
XLogP2.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[1-(4,4-difluorocyclohexyl)ethyl]-2-methyl-1,2,4-triazol-3-amine
CID 167794657
1-(2-Ethylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 63861960
1-(3-ethylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 64258021
1-(3-Methylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 64258022
1-(3,5-dimethylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 64735325
1-(3,4-Dimethylcyclohexyl)-1,2,4-triazole
CID 64738678
1-(3,4-Dimethylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 64740552
N-(3,4-dimethylcyclohexyl)-1-methyltetrazol-5-amine
CID 64741327
1-(4-Methylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 64749671
1-(4-ethylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 64749858
1-(4-Propylcyclohexyl)tetrazol-5-amine
CID 79505830
1-(3,4-Dimethylcyclohexyl)tetrazol-5-amine
CID 79506233

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3,4-dimethylcyclohexyl)-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-(3,4-dimethylcyclohexyl)-1,2,4-triazol-3-amine (CID 165473225) is 5-bromo-1-(3,4-dimethylcyclohexyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-(3,4-dimethylcyclohexyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-(3,4-dimethylcyclohexyl)-1,2,4-triazol-3-amine is CC1CCC(n2nc(N)nc2Br)CC1C.
What is the InChIKey of 5-bromo-1-(3,4-dimethylcyclohexyl)-1,2,4-triazol-3-amine?
The InChIKey is JNUDHIUWSQSNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4/c1-6-3-4-8(5-7(6)2)15-9(11)13-10(12)14-15/h6-8H,3-5H2,1-2H3,(H2,12,14).
What are the key properties of 5-bromo-1-(3,4-dimethylcyclohexyl)-1,2,4-triazol-3-amine?
5-bromo-1-(3,4-dimethylcyclohexyl)-1,2,4-triazol-3-amine has a molecular weight of 273.18 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3,4-dimethylcyclohexyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 165473225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).