(Z)-1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine

C9H6Cl2N4 — CID 5407877

IUPAC(Z)-1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
SMILESClc1ccc(/C=N\c2ncn[nH]2)c(Cl)c1
InChIInChI=1S/C9H6Cl2N4/c10-7-2-1-6(8(11)3-7)4-12-9-13-5-14-15-9/h1-5H,(H,13,14,15)/b12-4-
InChIKeyIKZFQFDQQNFWNI-QCDXTXTGSA-N
MW241.08 g/mol
LogP2.86
Rot. Bonds2

About (Z)-1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine

(Z)-1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine (PubChem CID 5407877) has the molecular formula C9H6Cl2N4 and a molecular weight of 241.08 g/mol. Its IUPAC name is (Z)-1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
PubChem CID5407877
Molecular FormulaC9H6Cl2N4
Molecular Weight241.08 g/mol
Exact Mass240.00
IUPAC Name(Z)-1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
SMILESClc1ccc(/C=N\c2ncn[nH]2)c(Cl)c1
InChIInChI=1S/C9H6Cl2N4/c10-7-2-1-6(8(11)3-7)4-12-9-13-5-14-15-9/h1-5H,(H,13,14,15)/b12-4-
InChIKeyIKZFQFDQQNFWNI-QCDXTXTGSA-N
XLogP2.86
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
The IUPAC name of (Z)-1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine (CID 5407877) is (Z)-1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine.
What is the SMILES notation for (Z)-1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
The canonical SMILES for (Z)-1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine is Clc1ccc(/C=N\c2ncn[nH]2)c(Cl)c1.
What is the InChIKey of (Z)-1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
The InChIKey is IKZFQFDQQNFWNI-QCDXTXTGSA-N. The full InChI is InChI=1S/C9H6Cl2N4/c10-7-2-1-6(8(11)3-7)4-12-9-13-5-14-15-9/h1-5H,(H,13,14,15)/b12-4-.
What are the key properties of (Z)-1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine?
(Z)-1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine has a molecular weight of 241.08 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine is sourced from PubChem (CID 5407877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).