(2-methylthiophen-3-yl)-(2-methyltriazol-4-yl)methanone

C9H9N3OS — CID 130521494

IUPAC(2-methylthiophen-3-yl)-(2-methyltriazol-4-yl)methanone
SMILESCc1sccc1C(=O)c1cnn(C)n1
InChIInChI=1S/C9H9N3OS/c1-6-7(3-4-14-6)9(13)8-5-10-12(2)11-8/h3-5H,1-2H3
InChIKeyCKDZHCLMJLUZCQ-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.42
Rot. Bonds2

About (2-methylthiophen-3-yl)-(2-methyltriazol-4-yl)methanone

(2-methylthiophen-3-yl)-(2-methyltriazol-4-yl)methanone (PubChem CID 130521494) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-(2-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-(2-methyltriazol-4-yl)methanone
PubChem CID130521494
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name(2-methylthiophen-3-yl)-(2-methyltriazol-4-yl)methanone
SMILESCc1sccc1C(=O)c1cnn(C)n1
InChIInChI=1S/C9H9N3OS/c1-6-7(3-4-14-6)9(13)8-5-10-12(2)11-8/h3-5H,1-2H3
InChIKeyCKDZHCLMJLUZCQ-UHFFFAOYSA-N
XLogP1.42
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-(2-methyltriazol-4-yl)methanone?
The IUPAC name of (2-methylthiophen-3-yl)-(2-methyltriazol-4-yl)methanone (CID 130521494) is (2-methylthiophen-3-yl)-(2-methyltriazol-4-yl)methanone.
What is the SMILES notation for (2-methylthiophen-3-yl)-(2-methyltriazol-4-yl)methanone?
The canonical SMILES for (2-methylthiophen-3-yl)-(2-methyltriazol-4-yl)methanone is Cc1sccc1C(=O)c1cnn(C)n1.
What is the InChIKey of (2-methylthiophen-3-yl)-(2-methyltriazol-4-yl)methanone?
The InChIKey is CKDZHCLMJLUZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-6-7(3-4-14-6)9(13)8-5-10-12(2)11-8/h3-5H,1-2H3.
What are the key properties of (2-methylthiophen-3-yl)-(2-methyltriazol-4-yl)methanone?
(2-methylthiophen-3-yl)-(2-methyltriazol-4-yl)methanone has a molecular weight of 207.26 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-(2-methyltriazol-4-yl)methanone is sourced from PubChem (CID 130521494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).