3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-amine

C10H15BrN4 — CID 107383026

IUPAC3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-amine
SMILESCn1nnc(Br)c1C1=CC(N)CCCC1
InChIInChI=1S/C10H15BrN4/c1-15-9(10(11)13-14-15)7-4-2-3-5-8(12)6-7/h6,8H,2-5,12H2,1H3
InChIKeyMJEQQVCGSVIXFI-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.86
Rot. Bonds1

About 3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-amine

3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-amine (PubChem CID 107383026) has the molecular formula C10H15BrN4 and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-amine.

Molecular Properties

Compound Name3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-amine
PubChem CID107383026
Molecular FormulaC10H15BrN4
Molecular Weight271.16 g/mol
Exact Mass270.05
IUPAC Name3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-amine
SMILESCn1nnc(Br)c1C1=CC(N)CCCC1
InChIInChI=1S/C10H15BrN4/c1-15-9(10(11)13-14-15)7-4-2-3-5-8(12)6-7/h6,8H,2-5,12H2,1H3
InChIKeyMJEQQVCGSVIXFI-UHFFFAOYSA-N
XLogP1.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-amine?
The IUPAC name of 3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-amine (CID 107383026) is 3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-amine.
What is the SMILES notation for 3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-amine?
The canonical SMILES for 3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-amine is Cn1nnc(Br)c1C1=CC(N)CCCC1.
What is the InChIKey of 3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-amine?
The InChIKey is MJEQQVCGSVIXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4/c1-15-9(10(11)13-14-15)7-4-2-3-5-8(12)6-7/h6,8H,2-5,12H2,1H3.
What are the key properties of 3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-amine?
3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-amine has a molecular weight of 271.16 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-methyltriazol-4-yl)cyclohept-2-en-1-amine is sourced from PubChem (CID 107383026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).