2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride

C8H11Cl2N5 — CID 2730228

IUPAC2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride
SMILESCl.NC(N)=N/C(N)=N/c1cccc(Cl)c1
InChIInChI=1S/C8H10ClN5.ClH/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H
InChIKeyFOWAIJYHRWFTHR-UHFFFAOYSA-N
MW248.12 g/mol
LogP0.98
Rot. Bonds1

About 2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride

2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride (PubChem CID 2730228) has the molecular formula C8H11Cl2N5 and a molecular weight of 248.12 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride
PubChem CID2730228
Molecular FormulaC8H11Cl2N5
Molecular Weight248.12 g/mol
Exact Mass247.04
IUPAC Name2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride
SMILESCl.NC(N)=N/C(N)=N/c1cccc(Cl)c1
InChIInChI=1S/C8H10ClN5.ClH/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H
InChIKeyFOWAIJYHRWFTHR-UHFFFAOYSA-N
XLogP0.98
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 50.98
H-Bond Donors ≤ 53
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 2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride (CID 2730228) is 2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride is Cl.NC(N)=N/C(N)=N/c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride?
The InChIKey is FOWAIJYHRWFTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5.ClH/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H.
What are the key properties of 2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride?
2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride has a molecular weight of 248.12 g/mol, XLogP of 0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine;hydrochloride is sourced from PubChem (CID 2730228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).