(5-chlorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine

C8H9ClN4S — CID 130521639

IUPAC(5-chlorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine
SMILESCn1cc(C(N)c2ccc(Cl)s2)nn1
InChIInChI=1S/C8H9ClN4S/c1-13-4-5(11-12-13)8(10)6-2-3-7(9)14-6/h2-4,8H,10H2,1H3
InChIKeyWHMGGSSPEZDWFF-UHFFFAOYSA-N
MW228.71 g/mol
LogP1.58
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine

(5-chlorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine (PubChem CID 130521639) has the molecular formula C8H9ClN4S and a molecular weight of 228.71 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine
PubChem CID130521639
Molecular FormulaC8H9ClN4S
Molecular Weight228.71 g/mol
Exact Mass228.02
IUPAC Name(5-chlorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine
SMILESCn1cc(C(N)c2ccc(Cl)s2)nn1
InChIInChI=1S/C8H9ClN4S/c1-13-4-5(11-12-13)8(10)6-2-3-7(9)14-6/h2-4,8H,10H2,1H3
InChIKeyWHMGGSSPEZDWFF-UHFFFAOYSA-N
XLogP1.58
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.71
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine?
The IUPAC name of (5-chlorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine (CID 130521639) is (5-chlorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine?
The canonical SMILES for (5-chlorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine is Cn1cc(C(N)c2ccc(Cl)s2)nn1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine?
The InChIKey is WHMGGSSPEZDWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4S/c1-13-4-5(11-12-13)8(10)6-2-3-7(9)14-6/h2-4,8H,10H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine?
(5-chlorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine has a molecular weight of 228.71 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(1-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 130521639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).