5-chloro-8,9-dimethoxy-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline

C12H11ClN4O2 — CID 21405154

IUPAC5-chloro-8,9-dimethoxy-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCOc1cc2nc(Cl)n3c(C)nnc3c2cc1OC
InChIInChI=1S/C12H11ClN4O2/c1-6-15-16-11-7-4-9(18-2)10(19-3)5-8(7)14-12(13)17(6)11/h4-5H,1-3H3
InChIKeyKMYFNHBUDRXTDK-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.26
Rot. Bonds2

About 5-chloro-8,9-dimethoxy-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline

5-chloro-8,9-dimethoxy-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline (PubChem CID 21405154) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 5-chloro-8,9-dimethoxy-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline.

Molecular Properties

Compound Name5-chloro-8,9-dimethoxy-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline
PubChem CID21405154
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name5-chloro-8,9-dimethoxy-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCOc1cc2nc(Cl)n3c(C)nnc3c2cc1OC
InChIInChI=1S/C12H11ClN4O2/c1-6-15-16-11-7-4-9(18-2)10(19-3)5-8(7)14-12(13)17(6)11/h4-5H,1-3H3
InChIKeyKMYFNHBUDRXTDK-UHFFFAOYSA-N
XLogP2.26
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-chloro-8,9-dimethoxy-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline 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-chloro-8,9-dimethoxy-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline?
The IUPAC name of 5-chloro-8,9-dimethoxy-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline (CID 21405154) is 5-chloro-8,9-dimethoxy-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline.
What is the SMILES notation for 5-chloro-8,9-dimethoxy-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline?
The canonical SMILES for 5-chloro-8,9-dimethoxy-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline is COc1cc2nc(Cl)n3c(C)nnc3c2cc1OC.
What is the InChIKey of 5-chloro-8,9-dimethoxy-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline?
The InChIKey is KMYFNHBUDRXTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-6-15-16-11-7-4-9(18-2)10(19-3)5-8(7)14-12(13)17(6)11/h4-5H,1-3H3.
What are the key properties of 5-chloro-8,9-dimethoxy-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline?
5-chloro-8,9-dimethoxy-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline has a molecular weight of 278.70 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8,9-dimethoxy-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline is sourced from PubChem (CID 21405154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).