7-methyl-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline

C16H12N4 — CID 650208

IUPAC7-methyl-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCc1cccc2c1nc(-c1ccccc1)n1cnnc21
InChIInChI=1S/C16H12N4/c1-11-6-5-9-13-14(11)18-15(12-7-3-2-4-8-12)20-10-17-19-16(13)20/h2-10H,1H3
InChIKeyBRAOGSLDBHJUMR-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.25
Rot. Bonds1

About 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline

7-methyl-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline (PubChem CID 650208) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline.

Molecular Properties

Compound Name7-methyl-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline
PubChem CID650208
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name7-methyl-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCc1cccc2c1nc(-c1ccccc1)n1cnnc21
InChIInChI=1S/C16H12N4/c1-11-6-5-9-13-14(11)18-15(12-7-3-2-4-8-12)20-10-17-19-16(13)20/h2-10H,1H3
InChIKeyBRAOGSLDBHJUMR-UHFFFAOYSA-N
XLogP3.25
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline?
The IUPAC name of 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline (CID 650208) is 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline.
What is the SMILES notation for 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline?
The canonical SMILES for 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline is Cc1cccc2c1nc(-c1ccccc1)n1cnnc21.
What is the InChIKey of 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline?
The InChIKey is BRAOGSLDBHJUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-11-6-5-9-13-14(11)18-15(12-7-3-2-4-8-12)20-10-17-19-16(13)20/h2-10H,1H3.
What are the key properties of 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline?
7-methyl-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline has a molecular weight of 260.30 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-phenyl-[1,2,4]triazolo[4,3-c]quinazoline is sourced from PubChem (CID 650208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).