2-(4-chlorophenyl)-1-(diaminomethylideneamino)guanidine

C8H11ClN6 — CID 69017102

IUPAC2-(4-chlorophenyl)-1-(diaminomethylideneamino)guanidine
SMILESNC(N)=NN/C(N)=N/c1ccc(Cl)cc1
InChIInChI=1S/C8H11ClN6/c9-5-1-3-6(4-2-5)13-8(12)15-14-7(10)11/h1-4H,(H4,10,11,14)(H3,12,13,15)
InChIKeyFMNAOFVOTZWGKS-UHFFFAOYSA-N
MW226.67 g/mol
LogP0.06
Rot. Bonds2

About 2-(4-chlorophenyl)-1-(diaminomethylideneamino)guanidine

2-(4-chlorophenyl)-1-(diaminomethylideneamino)guanidine (PubChem CID 69017102) has the molecular formula C8H11ClN6 and a molecular weight of 226.67 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(diaminomethylideneamino)guanidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(diaminomethylideneamino)guanidine
PubChem CID69017102
Molecular FormulaC8H11ClN6
Molecular Weight226.67 g/mol
Exact Mass226.07
IUPAC Name2-(4-chlorophenyl)-1-(diaminomethylideneamino)guanidine
SMILESNC(N)=NN/C(N)=N/c1ccc(Cl)cc1
InChIInChI=1S/C8H11ClN6/c9-5-1-3-6(4-2-5)13-8(12)15-14-7(10)11/h1-4H,(H4,10,11,14)(H3,12,13,15)
InChIKeyFMNAOFVOTZWGKS-UHFFFAOYSA-N
XLogP0.06
TPSA114.81 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(diaminomethylideneamino)guanidine?
The IUPAC name of 2-(4-chlorophenyl)-1-(diaminomethylideneamino)guanidine (CID 69017102) is 2-(4-chlorophenyl)-1-(diaminomethylideneamino)guanidine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(diaminomethylideneamino)guanidine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(diaminomethylideneamino)guanidine is NC(N)=NN/C(N)=N/c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(diaminomethylideneamino)guanidine?
The InChIKey is FMNAOFVOTZWGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN6/c9-5-1-3-6(4-2-5)13-8(12)15-14-7(10)11/h1-4H,(H4,10,11,14)(H3,12,13,15).
What are the key properties of 2-(4-chlorophenyl)-1-(diaminomethylideneamino)guanidine?
2-(4-chlorophenyl)-1-(diaminomethylideneamino)guanidine has a molecular weight of 226.67 g/mol, XLogP of 0.06, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(diaminomethylideneamino)guanidine is sourced from PubChem (CID 69017102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).