(5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine

C9H11BrN4OS — CID 106464848

IUPAC(5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine
SMILESCOc1csc(C(N)c2c(Br)nnn2C)c1
InChIInChI=1S/C9H11BrN4OS/c1-14-8(9(10)12-13-14)7(11)6-3-5(15-2)4-16-6/h3-4,7H,11H2,1-2H3
InChIKeyBYCDOCUHVBZNIV-UHFFFAOYSA-N
MW303.19 g/mol
LogP1.70
Rot. Bonds3

About (5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine

(5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine (PubChem CID 106464848) has the molecular formula C9H11BrN4OS and a molecular weight of 303.19 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine
PubChem CID106464848
Molecular FormulaC9H11BrN4OS
Molecular Weight303.19 g/mol
Exact Mass301.98
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine
SMILESCOc1csc(C(N)c2c(Br)nnn2C)c1
InChIInChI=1S/C9H11BrN4OS/c1-14-8(9(10)12-13-14)7(11)6-3-5(15-2)4-16-6/h3-4,7H,11H2,1-2H3
InChIKeyBYCDOCUHVBZNIV-UHFFFAOYSA-N
XLogP1.70
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464575
(4-methoxythiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 115858819
(5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine
CID 106464957
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(4-methoxythiophen-2-yl)methanamine
CID 105048345
[1-(5-bromo-3-methyltriazol-4-yl)-2-(4-methoxyphenyl)ethyl]hydrazine
CID 106465858
(5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine
CID 106462222
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine
CID 106462182
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 106464896
2-[5-[amino-(4-methoxythiophen-2-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105039133
(5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol
CID 106461135
2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 104996409
(2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine
CID 81126677

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine (CID 106464848) is (5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine is COc1csc(C(N)c2c(Br)nnn2C)c1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine?
The InChIKey is BYCDOCUHVBZNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4OS/c1-14-8(9(10)12-13-14)7(11)6-3-5(15-2)4-16-6/h3-4,7H,11H2,1-2H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine?
(5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine has a molecular weight of 303.19 g/mol, XLogP of 1.70, 3 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)-(4-methoxythiophen-2-yl)methanamine is sourced from PubChem (CID 106464848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).