5,7-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C17H18N6S — CID 53252086

IUPAC5,7-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(CCc3nc(-c4cccs4)cn3C)nc2n1
InChIInChI=1S/C17H18N6S/c1-11-9-12(2)23-17(18-11)20-15(21-23)6-7-16-19-13(10-22(16)3)14-5-4-8-24-14/h4-5,8-10H,6-7H2,1-3H3
InChIKeyRQSKXRSUYGBFBH-UHFFFAOYSA-N
MW338.44 g/mol
LogP2.99
Rot. Bonds4

About 5,7-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 53252086) has the molecular formula C17H18N6S and a molecular weight of 338.44 g/mol. Its IUPAC name is 5,7-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID53252086
Molecular FormulaC17H18N6S
Molecular Weight338.44 g/mol
Exact Mass338.13
IUPAC Name5,7-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(CCc3nc(-c4cccs4)cn3C)nc2n1
InChIInChI=1S/C17H18N6S/c1-11-9-12(2)23-17(18-11)20-15(21-23)6-7-16-19-13(10-22(16)3)14-5-4-8-24-14/h4-5,8-10H,6-7H2,1-3H3
InChIKeyRQSKXRSUYGBFBH-UHFFFAOYSA-N
XLogP2.99
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5,7-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 53252086) is 5,7-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(CCc3nc(-c4cccs4)cn3C)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RQSKXRSUYGBFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6S/c1-11-9-12(2)23-17(18-11)20-15(21-23)6-7-16-19-13(10-22(16)3)14-5-4-8-24-14/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 5,7-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 338.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53252086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).