(2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine

C13H10Cl2N4S — CID 107969139

IUPAC(2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine
SMILESNC(c1cc(Cl)sc1Cl)c1cnnn1-c1ccccc1
InChIInChI=1S/C13H10Cl2N4S/c14-11-6-9(13(15)20-11)12(16)10-7-17-18-19(10)8-4-2-1-3-5-8/h1-7,12H,16H2
InChIKeyMYDSJQZBXYVNDF-UHFFFAOYSA-N
MW325.22 g/mol
LogP3.68
Rot. Bonds3

About (2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine

(2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine (PubChem CID 107969139) has the molecular formula C13H10Cl2N4S and a molecular weight of 325.22 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine
PubChem CID107969139
Molecular FormulaC13H10Cl2N4S
Molecular Weight325.22 g/mol
Exact Mass324.00
IUPAC Name(2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine
SMILESNC(c1cc(Cl)sc1Cl)c1cnnn1-c1ccccc1
InChIInChI=1S/C13H10Cl2N4S/c14-11-6-9(13(15)20-11)12(16)10-7-17-18-19(10)8-4-2-1-3-5-8/h1-7,12H,16H2
InChIKeyMYDSJQZBXYVNDF-UHFFFAOYSA-N
XLogP3.68
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanamine
CID 107969143
(2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 105043267
(3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 103443749
(5-bromo-2-fluorophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 114894453
(4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 114686892
(5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 114688939
(3-bromo-2-methylphenyl)-(3-phenyltriazol-4-yl)methanamine
CID 105043263
(5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanone
CID 115806451
(3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 105066080
(5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 114688571
(5-methylpyrazin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 105184416
cyclopropyl-(3-phenyltriazol-4-yl)methanamine
CID 114687020

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine (CID 107969139) is (2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine is NC(c1cc(Cl)sc1Cl)c1cnnn1-c1ccccc1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine?
The InChIKey is MYDSJQZBXYVNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4S/c14-11-6-9(13(15)20-11)12(16)10-7-17-18-19(10)8-4-2-1-3-5-8/h1-7,12H,16H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine?
(2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine has a molecular weight of 325.22 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 107969139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).