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

C8H8BrClN4S — CID 106464957

IUPAC(5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine
SMILESCn1nnc(Br)c1C(N)c1sccc1Cl
InChIInChI=1S/C8H8BrClN4S/c1-14-6(8(9)12-13-14)5(11)7-4(10)2-3-15-7/h2-3,5H,11H2,1H3
InChIKeyYRZJOKFQXGTLGA-UHFFFAOYSA-N
MW307.60 g/mol
LogP2.34
Rot. Bonds2

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

(5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine (PubChem CID 106464957) has the molecular formula C8H8BrClN4S and a molecular weight of 307.60 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine
PubChem CID106464957
Molecular FormulaC8H8BrClN4S
Molecular Weight307.60 g/mol
Exact Mass305.93
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine
SMILESCn1nnc(Br)c1C(N)c1sccc1Cl
InChIInChI=1S/C8H8BrClN4S/c1-14-6(8(9)12-13-14)5(11)7-4(10)2-3-15-7/h2-3,5H,11H2,1H3
InChIKeyYRZJOKFQXGTLGA-UHFFFAOYSA-N
XLogP2.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.60
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(2-chloro-4-methylphenyl)methanamine
CID 106858990
(5-bromo-3-methyltriazol-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 106464896
(4-bromo-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
CID 105040300
2-[5-[amino-(3-chlorothiophen-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041078
(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80536306
(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine
CID 106464783
(5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine
CID 106464848
(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine
CID 106465277
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorothiophen-2-yl)methanamine
CID 105040808
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4,5-dimethoxyphenyl)methanamine
CID 106462182
(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 106464948
(5-bromo-3-methyltriazol-4-yl)-(3,5-difluorophenyl)methanamine
CID 106462222

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine (CID 106464957) is (5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine is Cn1nnc(Br)c1C(N)c1sccc1Cl.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine?
The InChIKey is YRZJOKFQXGTLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN4S/c1-14-6(8(9)12-13-14)5(11)7-4(10)2-3-15-7/h2-3,5H,11H2,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine?
(5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine has a molecular weight of 307.60 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(3-chlorothiophen-2-yl)methanamine is sourced from PubChem (CID 106464957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).