(Z)-3-(3-chloro-4-cyclopropylphenyl)-N-methyl-N'-methylidene-1-(2H-tetrazol-5-yl)prop-2-ene-1,3-diimine

C15H15ClN6 — CID 137203781

IUPAC(Z)-3-(3-chloro-4-cyclopropylphenyl)-N-methyl-N'-methylidene-1-(2H-tetrazol-5-yl)prop-2-ene-1,3-diimine
SMILESC=N/C(=C\C(=N\C)c1nn[nH]n1)c1ccc(C2CC2)c(Cl)c1
InChIInChI=1S/C15H15ClN6/c1-17-13(8-14(18-2)15-19-21-22-20-15)10-5-6-11(9-3-4-9)12(16)7-10/h5-9H,1,3-4H2,2H3,(H,19,20,21,22)/b13-8-,18-14-
InChIKeyYOXQCMIXDNJAOZ-UEWAJSFLSA-N
MW314.78 g/mol
LogP2.89
Rot. Bonds5

About (Z)-3-(3-chloro-4-cyclopropylphenyl)-N-methyl-N'-methylidene-1-(2H-tetrazol-5-yl)prop-2-ene-1,3-diimine

(Z)-3-(3-chloro-4-cyclopropylphenyl)-N-methyl-N'-methylidene-1-(2H-tetrazol-5-yl)prop-2-ene-1,3-diimine (PubChem CID 137203781) has the molecular formula C15H15ClN6 and a molecular weight of 314.78 g/mol. Its IUPAC name is (Z)-3-(3-chloro-4-cyclopropylphenyl)-N-methyl-N'-methylidene-1-(2H-tetrazol-5-yl)prop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-3-(3-chloro-4-cyclopropylphenyl)-N-methyl-N'-methylidene-1-(2H-tetrazol-5-yl)prop-2-ene-1,3-diimine
PubChem CID137203781
Molecular FormulaC15H15ClN6
Molecular Weight314.78 g/mol
Exact Mass314.10
IUPAC Name(Z)-3-(3-chloro-4-cyclopropylphenyl)-N-methyl-N'-methylidene-1-(2H-tetrazol-5-yl)prop-2-ene-1,3-diimine
SMILESC=N/C(=C\C(=N\C)c1nn[nH]n1)c1ccc(C2CC2)c(Cl)c1
InChIInChI=1S/C15H15ClN6/c1-17-13(8-14(18-2)15-19-21-22-20-15)10-5-6-11(9-3-4-9)12(16)7-10/h5-9H,1,3-4H2,2H3,(H,19,20,21,22)/b13-8-,18-14-
InChIKeyYOXQCMIXDNJAOZ-UEWAJSFLSA-N
XLogP2.89
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-3-(3-chloro-4-cyclopropylphenyl)-N-methyl-N'-methylidene-1-(2H-tetrazol-5-yl)prop-2-ene-1,3-diimine 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-(3-chloro-4-cyclopropylphenyl)-N-methyl-N'-methylidene-1-(2H-tetrazol-5-yl)prop-2-ene-1,3-diimine?
The IUPAC name of (Z)-3-(3-chloro-4-cyclopropylphenyl)-N-methyl-N'-methylidene-1-(2H-tetrazol-5-yl)prop-2-ene-1,3-diimine (CID 137203781) is (Z)-3-(3-chloro-4-cyclopropylphenyl)-N-methyl-N'-methylidene-1-(2H-tetrazol-5-yl)prop-2-ene-1,3-diimine.
What is the SMILES notation for (Z)-3-(3-chloro-4-cyclopropylphenyl)-N-methyl-N'-methylidene-1-(2H-tetrazol-5-yl)prop-2-ene-1,3-diimine?
The canonical SMILES for (Z)-3-(3-chloro-4-cyclopropylphenyl)-N-methyl-N'-methylidene-1-(2H-tetrazol-5-yl)prop-2-ene-1,3-diimine is C=N/C(=C\C(=N\C)c1nn[nH]n1)c1ccc(C2CC2)c(Cl)c1.
What is the InChIKey of (Z)-3-(3-chloro-4-cyclopropylphenyl)-N-methyl-N'-methylidene-1-(2H-tetrazol-5-yl)prop-2-ene-1,3-diimine?
The InChIKey is YOXQCMIXDNJAOZ-UEWAJSFLSA-N. The full InChI is InChI=1S/C15H15ClN6/c1-17-13(8-14(18-2)15-19-21-22-20-15)10-5-6-11(9-3-4-9)12(16)7-10/h5-9H,1,3-4H2,2H3,(H,19,20,21,22)/b13-8-,18-14-.
What are the key properties of (Z)-3-(3-chloro-4-cyclopropylphenyl)-N-methyl-N'-methylidene-1-(2H-tetrazol-5-yl)prop-2-ene-1,3-diimine?
(Z)-3-(3-chloro-4-cyclopropylphenyl)-N-methyl-N'-methylidene-1-(2H-tetrazol-5-yl)prop-2-ene-1,3-diimine has a molecular weight of 314.78 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-chloro-4-cyclopropylphenyl)-N-methyl-N'-methylidene-1-(2H-tetrazol-5-yl)prop-2-ene-1,3-diimine is sourced from PubChem (CID 137203781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).