2-phenyl-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine

C16H12N6 — CID 11196978

IUPAC2-phenyl-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine
SMILESc1ccc(-c2nc(Nc3ncn[nH]3)c3ccccc3n2)cc1
InChIInChI=1S/C16H12N6/c1-2-6-11(7-3-1)14-19-13-9-5-4-8-12(13)15(20-14)21-16-17-10-18-22-16/h1-10H,(H2,17,18,19,20,21,22)
InChIKeyHIYNYRWOAKCPBZ-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.16
Rot. Bonds3

About 2-phenyl-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine

2-phenyl-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine (PubChem CID 11196978) has the molecular formula C16H12N6 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-phenyl-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine
PubChem CID11196978
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC Name2-phenyl-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine
SMILESc1ccc(-c2nc(Nc3ncn[nH]3)c3ccccc3n2)cc1
InChIInChI=1S/C16H12N6/c1-2-6-11(7-3-1)14-19-13-9-5-4-8-12(13)15(20-14)21-16-17-10-18-22-16/h1-10H,(H2,17,18,19,20,21,22)
InChIKeyHIYNYRWOAKCPBZ-UHFFFAOYSA-N
XLogP3.16
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Spautin-1
CID 51037431
4-Anilinoquinazoline
CID 324081
N-Benzylquinazolin-4-amine
CID 616573
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
4-Hydrazinoquinazoline
CID 63343
1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
N-(2-phenylethyl)quinazolin-4-amine
CID 198909
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
2-Phenyl-4-(1,2,4-Triazol-4-Yl)quinazoline
CID 17436861
N-(3-fluorophenyl)quinazolin-4-amine
CID 735124

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine?
The IUPAC name of 2-phenyl-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine (CID 11196978) is 2-phenyl-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for 2-phenyl-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine?
The canonical SMILES for 2-phenyl-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine is c1ccc(-c2nc(Nc3ncn[nH]3)c3ccccc3n2)cc1.
What is the InChIKey of 2-phenyl-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine?
The InChIKey is HIYNYRWOAKCPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6/c1-2-6-11(7-3-1)14-19-13-9-5-4-8-12(13)15(20-14)21-16-17-10-18-22-16/h1-10H,(H2,17,18,19,20,21,22).
What are the key properties of 2-phenyl-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine?
2-phenyl-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine has a molecular weight of 288.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 11196978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).