2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline

C16H11N5 — CID 17436861

IUPAC2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline
SMILESc1ccc(-c2nc(-n3cnnc3)c3ccccc3n2)cc1
InChIInChI=1S/C16H11N5/c1-2-6-12(7-3-1)15-19-14-9-5-4-8-13(14)16(20-15)21-10-17-18-11-21/h1-11H
InChIKeyPNPWQEYBCDBCSQ-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.88
Rot. Bonds2

About 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline

2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline (PubChem CID 17436861) has the molecular formula C16H11N5 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline.

Molecular Properties

Compound Name2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline
PubChem CID17436861
Molecular FormulaC16H11N5
Molecular Weight273.30 g/mol
Exact Mass273.10
IUPAC Name2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline
SMILESc1ccc(-c2nc(-n3cnnc3)c3ccccc3n2)cc1
InChIInChI=1S/C16H11N5/c1-2-6-12(7-3-1)15-19-14-9-5-4-8-13(14)16(20-15)21-10-17-18-11-21/h1-11H
InChIKeyPNPWQEYBCDBCSQ-UHFFFAOYSA-N
XLogP2.88
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline?
The IUPAC name of 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline (CID 17436861) is 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline.
What is the SMILES notation for 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline?
The canonical SMILES for 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline is c1ccc(-c2nc(-n3cnnc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline?
The InChIKey is PNPWQEYBCDBCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5/c1-2-6-12(7-3-1)15-19-14-9-5-4-8-13(14)16(20-15)21-10-17-18-11-21/h1-11H.
What are the key properties of 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline?
2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline has a molecular weight of 273.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline is sourced from PubChem (CID 17436861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).