1-(5-chlorothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine

C10H13ClN4S — CID 62756679

IUPAC1-(5-chlorothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cn(C)nn1)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClN4S/c1-7(9-3-4-10(11)16-9)12-5-8-6-15(2)14-13-8/h3-4,6-7,12H,5H2,1-2H3
InChIKeyXWWTVGNEVNMKSP-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.38
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine

1-(5-chlorothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 62756679) has the molecular formula C10H13ClN4S and a molecular weight of 256.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
PubChem CID62756679
Molecular FormulaC10H13ClN4S
Molecular Weight256.76 g/mol
Exact Mass256.05
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cn(C)nn1)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClN4S/c1-7(9-3-4-10(11)16-9)12-5-8-6-15(2)14-13-8/h3-4,6-7,12H,5H2,1-2H3
InChIKeyXWWTVGNEVNMKSP-UHFFFAOYSA-N
XLogP2.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine (CID 62756679) is 1-(5-chlorothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine is CC(NCc1cn(C)nn1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is XWWTVGNEVNMKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4S/c1-7(9-3-4-10(11)16-9)12-5-8-6-15(2)14-13-8/h3-4,6-7,12H,5H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 256.76 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 62756679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).