(3-chlorothiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine

C7H7ClN4S — CID 107359797

IUPAC(3-chlorothiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine
SMILESNC(c1ncn[nH]1)c1sccc1Cl
InChIInChI=1S/C7H7ClN4S/c8-4-1-2-13-6(4)5(9)7-10-3-11-12-7/h1-3,5H,9H2,(H,10,11,12)
InChIKeyRABFGSARSUTVSZ-UHFFFAOYSA-N
MW214.68 g/mol
LogP1.57
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine

(3-chlorothiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 107359797) has the molecular formula C7H7ClN4S and a molecular weight of 214.68 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine
PubChem CID107359797
Molecular FormulaC7H7ClN4S
Molecular Weight214.68 g/mol
Exact Mass214.01
IUPAC Name(3-chlorothiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine
SMILESNC(c1ncn[nH]1)c1sccc1Cl
InChIInChI=1S/C7H7ClN4S/c8-4-1-2-13-6(4)5(9)7-10-3-11-12-7/h1-3,5H,9H2,(H,10,11,12)
InChIKeyRABFGSARSUTVSZ-UHFFFAOYSA-N
XLogP1.57
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of (3-chlorothiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine (CID 107359797) is (3-chlorothiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for (3-chlorothiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine is NC(c1ncn[nH]1)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is RABFGSARSUTVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4S/c8-4-1-2-13-6(4)5(9)7-10-3-11-12-7/h1-3,5H,9H2,(H,10,11,12).
What are the key properties of (3-chlorothiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine?
(3-chlorothiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 214.68 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 107359797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).