6-phenylmethoxy-[1,2,4]triazolo[1,5-a]quinazoline

C16H12N4O — CID 71477793

IUPAC6-phenylmethoxy-[1,2,4]triazolo[1,5-a]quinazoline
SMILESc1ccc(COc2cccc3c2cnc2ncnn23)cc1
InChIInChI=1S/C16H12N4O/c1-2-5-12(6-3-1)10-21-15-8-4-7-14-13(15)9-17-16-18-11-19-20(14)16/h1-9,11H,10H2
InChIKeyFEYNGWXNXUMHGX-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.86
Rot. Bonds3

About 6-phenylmethoxy-[1,2,4]triazolo[1,5-a]quinazoline

6-phenylmethoxy-[1,2,4]triazolo[1,5-a]quinazoline (PubChem CID 71477793) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-phenylmethoxy-[1,2,4]triazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name6-phenylmethoxy-[1,2,4]triazolo[1,5-a]quinazoline
PubChem CID71477793
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name6-phenylmethoxy-[1,2,4]triazolo[1,5-a]quinazoline
SMILESc1ccc(COc2cccc3c2cnc2ncnn23)cc1
InChIInChI=1S/C16H12N4O/c1-2-5-12(6-3-1)10-21-15-8-4-7-14-13(15)9-17-16-18-11-19-20(14)16/h1-9,11H,10H2
InChIKeyFEYNGWXNXUMHGX-UHFFFAOYSA-N
XLogP2.86
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-[1,2,4]triazolo[1,5-a]quinazoline?
The IUPAC name of 6-phenylmethoxy-[1,2,4]triazolo[1,5-a]quinazoline (CID 71477793) is 6-phenylmethoxy-[1,2,4]triazolo[1,5-a]quinazoline.
What is the SMILES notation for 6-phenylmethoxy-[1,2,4]triazolo[1,5-a]quinazoline?
The canonical SMILES for 6-phenylmethoxy-[1,2,4]triazolo[1,5-a]quinazoline is c1ccc(COc2cccc3c2cnc2ncnn23)cc1.
What is the InChIKey of 6-phenylmethoxy-[1,2,4]triazolo[1,5-a]quinazoline?
The InChIKey is FEYNGWXNXUMHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-2-5-12(6-3-1)10-21-15-8-4-7-14-13(15)9-17-16-18-11-19-20(14)16/h1-9,11H,10H2.
What are the key properties of 6-phenylmethoxy-[1,2,4]triazolo[1,5-a]quinazoline?
6-phenylmethoxy-[1,2,4]triazolo[1,5-a]quinazoline has a molecular weight of 276.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-[1,2,4]triazolo[1,5-a]quinazoline is sourced from PubChem (CID 71477793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).