N'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide

C8H9ClN4 — CID 131233186

IUPACN'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide
SMILESNC(N)=N/C=N/c1cccc(Cl)c1
InChIInChI=1S/C8H9ClN4/c9-6-2-1-3-7(4-6)12-5-13-8(10)11/h1-5H,(H4,10,11,12,13)
InChIKeyGGLWOAOIFFABEU-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.27
Rot. Bonds2

About N'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide

N'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide (PubChem CID 131233186) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide
PubChem CID131233186
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC NameN'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide
SMILESNC(N)=N/C=N/c1cccc(Cl)c1
InChIInChI=1S/C8H9ClN4/c9-6-2-1-3-7(4-6)12-5-13-8(10)11/h1-5H,(H4,10,11,12,13)
InChIKeyGGLWOAOIFFABEU-UHFFFAOYSA-N
XLogP1.27
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide?
The IUPAC name of N'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide (CID 131233186) is N'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide is NC(N)=N/C=N/c1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide?
The InChIKey is GGLWOAOIFFABEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4/c9-6-2-1-3-7(4-6)12-5-13-8(10)11/h1-5H,(H4,10,11,12,13).
What are the key properties of N'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide?
N'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide has a molecular weight of 196.64 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-(diaminomethylidene)methanimidamide is sourced from PubChem (CID 131233186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).