4-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline

C23H19N7OS — CID 133443952

IUPAC4-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
SMILESCCOc1ccc(-n2c(Sc3ncnc4ccc(C)cc34)nnc2-c2cnccn2)cc1
InChIInChI=1S/C23H19N7OS/c1-3-31-17-7-5-16(6-8-17)30-21(20-13-24-10-11-25-20)28-29-23(30)32-22-18-12-15(2)4-9-19(18)26-14-27-22/h4-14H,3H2,1-2H3
InChIKeyPIVBAWYGGNGVOJ-UHFFFAOYSA-N
MW441.52 g/mol
LogP4.53
Rot. Bonds6

About 4-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline

4-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline (PubChem CID 133443952) has the molecular formula C23H19N7OS and a molecular weight of 441.52 g/mol. Its IUPAC name is 4-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline.

Molecular Properties

Compound Name4-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
PubChem CID133443952
Molecular FormulaC23H19N7OS
Molecular Weight441.52 g/mol
Exact Mass441.14
IUPAC Name4-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
SMILESCCOc1ccc(-n2c(Sc3ncnc4ccc(C)cc34)nnc2-c2cnccn2)cc1
InChIInChI=1S/C23H19N7OS/c1-3-31-17-7-5-16(6-8-17)30-21(20-13-24-10-11-25-20)28-29-23(30)32-22-18-12-15(2)4-9-19(18)26-14-27-22/h4-14H,3H2,1-2H3
InChIKeyPIVBAWYGGNGVOJ-UHFFFAOYSA-N
XLogP4.53
TPSA91.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline with MolForge

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

Launch Full Analysis

Related Compounds

6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline
CID 133426911
6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline
CID 133426925
2-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine
CID 2037386
4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylquinazoline
CID 133426978
propan-2-yl 2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 666707
4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
CID 133427019
4-[[4-(3,4-dichlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]quinazoline
CID 24661854
6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline
CID 133426595
4-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
CID 133427285
4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
CID 7813991
4-ethyl-5-fluoro-6-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
CID 133434086
4-[4-(4-ethoxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]pyridine
CID 2193992

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline?
The IUPAC name of 4-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline (CID 133443952) is 4-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline.
What is the SMILES notation for 4-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline?
The canonical SMILES for 4-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline is CCOc1ccc(-n2c(Sc3ncnc4ccc(C)cc34)nnc2-c2cnccn2)cc1.
What is the InChIKey of 4-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline?
The InChIKey is PIVBAWYGGNGVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7OS/c1-3-31-17-7-5-16(6-8-17)30-21(20-13-24-10-11-25-20)28-29-23(30)32-22-18-12-15(2)4-9-19(18)26-14-27-22/h4-14H,3H2,1-2H3.
What are the key properties of 4-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline?
4-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline has a molecular weight of 441.52 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline is sourced from PubChem (CID 133443952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).