1-[(4-chlorophenyl)methylidene]-2-(1H-1,2,4-triazol-5-yl)guanidine

C10H9ClN6 — CID 131856449

IUPAC1-[(4-chlorophenyl)methylidene]-2-(1H-1,2,4-triazol-5-yl)guanidine
SMILESN/C(N=Cc1ccc(Cl)cc1)=N\c1ncn[nH]1
InChIInChI=1S/C10H9ClN6/c11-8-3-1-7(2-4-8)5-13-9(12)16-10-14-6-15-17-10/h1-6H,(H3,12,14,15,16,17)
InChIKeyJRTGPPAJVDRTHB-UHFFFAOYSA-N
MW248.68 g/mol
LogP1.52
Rot. Bonds2

About 1-[(4-chlorophenyl)methylidene]-2-(1H-1,2,4-triazol-5-yl)guanidine

1-[(4-chlorophenyl)methylidene]-2-(1H-1,2,4-triazol-5-yl)guanidine (PubChem CID 131856449) has the molecular formula C10H9ClN6 and a molecular weight of 248.68 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylidene]-2-(1H-1,2,4-triazol-5-yl)guanidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylidene]-2-(1H-1,2,4-triazol-5-yl)guanidine
PubChem CID131856449
Molecular FormulaC10H9ClN6
Molecular Weight248.68 g/mol
Exact Mass248.06
IUPAC Name1-[(4-chlorophenyl)methylidene]-2-(1H-1,2,4-triazol-5-yl)guanidine
SMILESN/C(N=Cc1ccc(Cl)cc1)=N\c1ncn[nH]1
InChIInChI=1S/C10H9ClN6/c11-8-3-1-7(2-4-8)5-13-9(12)16-10-14-6-15-17-10/h1-6H,(H3,12,14,15,16,17)
InChIKeyJRTGPPAJVDRTHB-UHFFFAOYSA-N
XLogP1.52
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[(4-chlorophenyl)methylidene]-2-(1H-1,2,4-triazol-5-yl)guanidine 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-[(4-chlorophenyl)methylidene]-2-cyanoguanidine
CID 27109231
(Z)-1-(4-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
CID 5391184
4-[(E)-1H-1,2,4-triazol-5-yliminomethyl]benzene-1,2-diol
CID 135699033
4-[(Z)-(4-chlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 7672822
5-[1-(4-chlorophenyl)-4,4-dimethylpent-1-en-2-yl]-1H-1,2,4-triazole
CID 141354321
1-[4-(2-phenylethynyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)methanimine
CID 6612362
2-[(E)-(4-chlorophenyl)methylideneamino]-1,1-dimethylguanidine
CID 13451350
CID 172941482
CID 172941482
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine
CID 659930
(E)-1-[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxyphenyl]-N-(1H-1,2,4-triazol-5-yl)methanimine
CID 25251022
1-[(4-chlorophenyl)methylideneamino]-2-[(E)-(4-chlorophenyl)methylideneamino]guanidine
CID 137091125
carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium
CID 178127818

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylidene]-2-(1H-1,2,4-triazol-5-yl)guanidine?
The IUPAC name of 1-[(4-chlorophenyl)methylidene]-2-(1H-1,2,4-triazol-5-yl)guanidine (CID 131856449) is 1-[(4-chlorophenyl)methylidene]-2-(1H-1,2,4-triazol-5-yl)guanidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methylidene]-2-(1H-1,2,4-triazol-5-yl)guanidine?
The canonical SMILES for 1-[(4-chlorophenyl)methylidene]-2-(1H-1,2,4-triazol-5-yl)guanidine is N/C(N=Cc1ccc(Cl)cc1)=N\c1ncn[nH]1.
What is the InChIKey of 1-[(4-chlorophenyl)methylidene]-2-(1H-1,2,4-triazol-5-yl)guanidine?
The InChIKey is JRTGPPAJVDRTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6/c11-8-3-1-7(2-4-8)5-13-9(12)16-10-14-6-15-17-10/h1-6H,(H3,12,14,15,16,17).
What are the key properties of 1-[(4-chlorophenyl)methylidene]-2-(1H-1,2,4-triazol-5-yl)guanidine?
1-[(4-chlorophenyl)methylidene]-2-(1H-1,2,4-triazol-5-yl)guanidine has a molecular weight of 248.68 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylidene]-2-(1H-1,2,4-triazol-5-yl)guanidine is sourced from PubChem (CID 131856449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).