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

C10H17BrN4 — CID 165473316

IUPAC5-bromo-1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine
SMILESCC1CC(C)CC(n2nc(N)nc2Br)C1
InChIInChI=1S/C10H17BrN4/c1-6-3-7(2)5-8(4-6)15-9(11)13-10(12)14-15/h6-8H,3-5H2,1-2H3,(H2,12,14)
InChIKeyRPFYMWOWKUVFSM-UHFFFAOYSA-N
MW273.18 g/mol
LogP2.62
Rot. Bonds1

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

5-bromo-1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine (PubChem CID 165473316) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is 5-bromo-1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine
PubChem CID165473316
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC Name5-bromo-1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine
SMILESCC1CC(C)CC(n2nc(N)nc2Br)C1
InChIInChI=1S/C10H17BrN4/c1-6-3-7(2)5-8(4-6)15-9(11)13-10(12)14-15/h6-8H,3-5H2,1-2H3,(H2,12,14)
InChIKeyRPFYMWOWKUVFSM-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine (CID 165473316) is 5-bromo-1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine is CC1CC(C)CC(n2nc(N)nc2Br)C1.
What is the InChIKey of 5-bromo-1-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine?
The InChIKey is RPFYMWOWKUVFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4/c1-6-3-7(2)5-8(4-6)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-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine?
5-bromo-1-(3,5-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-(3,5-dimethylcyclohexyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 165473316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).