(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine

C12H14BrClN4O2 — CID 106462182

IUPAC(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2c(Br)nnn2C)cc(Cl)c1OC
InChIInChI=1S/C12H14BrClN4O2/c1-18-10(12(13)16-17-18)9(15)6-4-7(14)11(20-3)8(5-6)19-2/h4-5,9H,15H2,1-3H3
InChIKeySOSRFRSGOJMINJ-UHFFFAOYSA-N
MW361.63 g/mol
LogP2.30
Rot. Bonds4

About (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine

(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine (PubChem CID 106462182) has the molecular formula C12H14BrClN4O2 and a molecular weight of 361.63 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine
PubChem CID106462182
Molecular FormulaC12H14BrClN4O2
Molecular Weight361.63 g/mol
Exact Mass360.00
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2c(Br)nnn2C)cc(Cl)c1OC
InChIInChI=1S/C12H14BrClN4O2/c1-18-10(12(13)16-17-18)9(15)6-4-7(14)11(20-3)8(5-6)19-2/h4-5,9H,15H2,1-3H3
InChIKeySOSRFRSGOJMINJ-UHFFFAOYSA-N
XLogP2.30
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.63
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine
CID 106462222
1-(3-chloro-4,5-dimethoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530018
(5-bromo-3-methyltriazol-4-yl)-(2-chloro-4-methylphenyl)methanamine
CID 106858990
(5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine
CID 106464848
1-(3-chloro-4,5-dimethoxyphenyl)-4-methylpentan-1-amine
CID 62601776
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-3-pyridinyl)methanamine
CID 106464908
(3-chloro-4,5-dimethoxyphenyl)-(4-ethylphenyl)methanamine
CID 62542898
(5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine
CID 106464957
[(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine
CID 106466623
(5-bromo-4-chlorothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanamine
CID 80530800
(5-bromo-3-methyltriazol-4-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 106461168
3-amino-3-(3-chloro-4,5-dimethoxyphenyl)propanoic acid
CID 170872581

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine (CID 106462182) is (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine is COc1cc(C(N)c2c(Br)nnn2C)cc(Cl)c1OC.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine?
The InChIKey is SOSRFRSGOJMINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN4O2/c1-18-10(12(13)16-17-18)9(15)6-4-7(14)11(20-3)8(5-6)19-2/h4-5,9H,15H2,1-3H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine?
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine has a molecular weight of 361.63 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 106462182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).