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

C18H17N5O — CID 2825454

IUPAC(Z)-3-(dimethylamino)-1-phenyl-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one
SMILESCN(C)/C=C(\C(=O)c1ccccc1)c1nnnn1-c1ccccc1
InChIInChI=1S/C18H17N5O/c1-22(2)13-16(17(24)14-9-5-3-6-10-14)18-19-20-21-23(18)15-11-7-4-8-12-15/h3-13H,1-2H3/b16-13+
InChIKeyPSMRDIADNIHJFE-DTQAZKPQSA-N
MW319.37 g/mol
LogP2.45
Rot. Bonds5

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

(Z)-3-(dimethylamino)-1-phenyl-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one (PubChem CID 2825454) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is (Z)-3-(dimethylamino)-1-phenyl-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(dimethylamino)-1-phenyl-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one
PubChem CID2825454
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name(Z)-3-(dimethylamino)-1-phenyl-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one
SMILESCN(C)/C=C(\C(=O)c1ccccc1)c1nnnn1-c1ccccc1
InChIInChI=1S/C18H17N5O/c1-22(2)13-16(17(24)14-9-5-3-6-10-14)18-19-20-21-23(18)15-11-7-4-8-12-15/h3-13H,1-2H3/b16-13+
InChIKeyPSMRDIADNIHJFE-DTQAZKPQSA-N
XLogP2.45
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-3-(dimethylamino)-1-phenyl-2-(1-phenyltetrazol-5-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

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(dimethylamino)-1-phenyl-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(dimethylamino)-1-phenyl-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one (CID 2825454) is (Z)-3-(dimethylamino)-1-phenyl-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(dimethylamino)-1-phenyl-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(dimethylamino)-1-phenyl-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one is CN(C)/C=C(\C(=O)c1ccccc1)c1nnnn1-c1ccccc1.
What is the InChIKey of (Z)-3-(dimethylamino)-1-phenyl-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one?
The InChIKey is PSMRDIADNIHJFE-DTQAZKPQSA-N. The full InChI is InChI=1S/C18H17N5O/c1-22(2)13-16(17(24)14-9-5-3-6-10-14)18-19-20-21-23(18)15-11-7-4-8-12-15/h3-13H,1-2H3/b16-13+.
What are the key properties of (Z)-3-(dimethylamino)-1-phenyl-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one?
(Z)-3-(dimethylamino)-1-phenyl-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one has a molecular weight of 319.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dimethylamino)-1-phenyl-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one is sourced from PubChem (CID 2825454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).