(3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine

C11H12Br2N4 — CID 114213442

IUPAC(3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine
SMILESCCn1nncc1C(N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H12Br2N4/c1-2-17-10(6-15-16-17)11(14)7-3-8(12)5-9(13)4-7/h3-6,11H,2,14H2,1H3
InChIKeyLXJWFCVZEJQBEP-UHFFFAOYSA-N
MW360.05 g/mol
LogP2.87
Rot. Bonds3

About (3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine

(3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine (PubChem CID 114213442) has the molecular formula C11H12Br2N4 and a molecular weight of 360.05 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine
PubChem CID114213442
Molecular FormulaC11H12Br2N4
Molecular Weight360.05 g/mol
Exact Mass357.94
IUPAC Name(3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine
SMILESCCn1nncc1C(N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H12Br2N4/c1-2-17-10(6-15-16-17)11(14)7-3-8(12)5-9(13)4-7/h3-6,11H,2,14H2,1H3
InChIKeyLXJWFCVZEJQBEP-UHFFFAOYSA-N
XLogP2.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.05
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-3-chlorophenyl)-(3-ethyltriazol-4-yl)methanamine
CID 114213506
(3,4-difluorophenyl)-(3-ethyltriazol-4-yl)methanamine
CID 114213148
(3-ethyltriazol-4-yl)-(furan-3-yl)methanamine
CID 130484270
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
CID 107977457
(3-ethyltriazol-4-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 114213305
(3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 66426059
1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine
CID 130715109
2-(3,5-dimethylphenyl)-1-(3-ethyltriazol-4-yl)ethanamine
CID 114213187
(5-bromo-2-fluorophenyl)-(3-ethyltriazol-4-yl)methanol
CID 114212999
2,3-dihydro-1-benzofuran-5-yl-(3-propyltriazol-4-yl)methanamine
CID 105038683
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714
(3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114686950

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine?
The IUPAC name of (3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine (CID 114213442) is (3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine.
What is the SMILES notation for (3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine?
The canonical SMILES for (3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine is CCn1nncc1C(N)c1cc(Br)cc(Br)c1.
What is the InChIKey of (3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine?
The InChIKey is LXJWFCVZEJQBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N4/c1-2-17-10(6-15-16-17)11(14)7-3-8(12)5-9(13)4-7/h3-6,11H,2,14H2,1H3.
What are the key properties of (3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine?
(3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine has a molecular weight of 360.05 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(3-ethyltriazol-4-yl)methanamine is sourced from PubChem (CID 114213442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).