(5-amino-1,2,4-triazol-1-yl)-(3,5-dimethylthiophen-2-yl)methanone

C9H10N4OS — CID 141066608

IUPAC(5-amino-1,2,4-triazol-1-yl)-(3,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C)c(C(=O)n2ncnc2N)s1
InChIInChI=1S/C9H10N4OS/c1-5-3-6(2)15-7(5)8(14)13-9(10)11-4-12-13/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyGTVCCOPTJWWUAM-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.23
Rot. Bonds1

About (5-amino-1,2,4-triazol-1-yl)-(3,5-dimethylthiophen-2-yl)methanone

(5-amino-1,2,4-triazol-1-yl)-(3,5-dimethylthiophen-2-yl)methanone (PubChem CID 141066608) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is (5-amino-1,2,4-triazol-1-yl)-(3,5-dimethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-1,2,4-triazol-1-yl)-(3,5-dimethylthiophen-2-yl)methanone
PubChem CID141066608
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name(5-amino-1,2,4-triazol-1-yl)-(3,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc(C)c(C(=O)n2ncnc2N)s1
InChIInChI=1S/C9H10N4OS/c1-5-3-6(2)15-7(5)8(14)13-9(10)11-4-12-13/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyGTVCCOPTJWWUAM-UHFFFAOYSA-N
XLogP1.23
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1,2,4-triazol-1-yl)-(3,5-dimethylthiophen-2-yl)methanone?
The IUPAC name of (5-amino-1,2,4-triazol-1-yl)-(3,5-dimethylthiophen-2-yl)methanone (CID 141066608) is (5-amino-1,2,4-triazol-1-yl)-(3,5-dimethylthiophen-2-yl)methanone.
What is the SMILES notation for (5-amino-1,2,4-triazol-1-yl)-(3,5-dimethylthiophen-2-yl)methanone?
The canonical SMILES for (5-amino-1,2,4-triazol-1-yl)-(3,5-dimethylthiophen-2-yl)methanone is Cc1cc(C)c(C(=O)n2ncnc2N)s1.
What is the InChIKey of (5-amino-1,2,4-triazol-1-yl)-(3,5-dimethylthiophen-2-yl)methanone?
The InChIKey is GTVCCOPTJWWUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-5-3-6(2)15-7(5)8(14)13-9(10)11-4-12-13/h3-4H,1-2H3,(H2,10,11,12).
What are the key properties of (5-amino-1,2,4-triazol-1-yl)-(3,5-dimethylthiophen-2-yl)methanone?
(5-amino-1,2,4-triazol-1-yl)-(3,5-dimethylthiophen-2-yl)methanone has a molecular weight of 222.27 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,2,4-triazol-1-yl)-(3,5-dimethylthiophen-2-yl)methanone is sourced from PubChem (CID 141066608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).