(Z)-1-phenyl-3-(5-phenyltetrazol-1-yl)prop-2-en-1-one

C16H12N4O — CID 76763955

IUPAC(Z)-1-phenyl-3-(5-phenyltetrazol-1-yl)prop-2-en-1-one
SMILESO=C(/C=C\n1nnnc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12N4O/c21-15(13-7-3-1-4-8-13)11-12-20-16(17-18-19-20)14-9-5-2-6-10-14/h1-12H/b12-11-
InChIKeyOBPLTICCYILSHJ-QXMHVHEDSA-N
MW276.30 g/mol
LogP2.69
Rot. Bonds4

About (Z)-1-phenyl-3-(5-phenyltetrazol-1-yl)prop-2-en-1-one

(Z)-1-phenyl-3-(5-phenyltetrazol-1-yl)prop-2-en-1-one (PubChem CID 76763955) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is (Z)-1-phenyl-3-(5-phenyltetrazol-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-phenyl-3-(5-phenyltetrazol-1-yl)prop-2-en-1-one
PubChem CID76763955
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name(Z)-1-phenyl-3-(5-phenyltetrazol-1-yl)prop-2-en-1-one
SMILESO=C(/C=C\n1nnnc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12N4O/c21-15(13-7-3-1-4-8-13)11-12-20-16(17-18-19-20)14-9-5-2-6-10-14/h1-12H/b12-11-
InChIKeyOBPLTICCYILSHJ-QXMHVHEDSA-N
XLogP2.69
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-1-phenyl-3-(5-phenyltetrazol-1-yl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-2-(5-phenyl-2H-tetrazol-2-yl)ethanone
CID 853140
1-phenyl-3-(5-phenyl-1H-tetrazol-1-yl)propan-1-one
CID 46890466
1-[3-[1-[3-(4-Benzylpiperidin-1-yl)propyl]tetrazol-5-yl]phenyl]ethanone
CID 137660247
3-(5-(3-chlorophenyl)-1H-tetrazol-1-yl)-1-phenylpropan-1-one
CID 46890514
1-Azolyl-4-phenyl-2-butanone, 40
CID 44604416
1-[3-[1-[2-(4-Benzylpiperidin-1-yl)ethyl]tetrazol-5-yl]phenyl]ethanone
CID 137641034
3-(5-(4-chlorophenyl)-1H-tetrazol-1-yl)-1-phenylpropan-1-one
CID 46890515
(E)-3-[5-(3-fluorophenyl)tetrazol-1-yl]-2-iodo-1,3-diphenylprop-2-en-1-one
CID 154716407
2-(1-Benzyltetrazol-5-yl)-1-phenylethanone
CID 85567054
(1-Benzyltetrazol-5-yl)-phenylmethanone
CID 14026756
4-(1-Methyltetrazol-5-yl)benzaldehyde
CID 21696357
[1-[(4-Fluorophenyl)methyl]tetrazol-5-yl]-phenylmethanone
CID 12012844

Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenyl-3-(5-phenyltetrazol-1-yl)prop-2-en-1-one?
The IUPAC name of (Z)-1-phenyl-3-(5-phenyltetrazol-1-yl)prop-2-en-1-one (CID 76763955) is (Z)-1-phenyl-3-(5-phenyltetrazol-1-yl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-phenyl-3-(5-phenyltetrazol-1-yl)prop-2-en-1-one?
The canonical SMILES for (Z)-1-phenyl-3-(5-phenyltetrazol-1-yl)prop-2-en-1-one is O=C(/C=C\n1nnnc1-c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1-phenyl-3-(5-phenyltetrazol-1-yl)prop-2-en-1-one?
The InChIKey is OBPLTICCYILSHJ-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H12N4O/c21-15(13-7-3-1-4-8-13)11-12-20-16(17-18-19-20)14-9-5-2-6-10-14/h1-12H/b12-11-.
What are the key properties of (Z)-1-phenyl-3-(5-phenyltetrazol-1-yl)prop-2-en-1-one?
(Z)-1-phenyl-3-(5-phenyltetrazol-1-yl)prop-2-en-1-one has a molecular weight of 276.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenyl-3-(5-phenyltetrazol-1-yl)prop-2-en-1-one is sourced from PubChem (CID 76763955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).