1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine;hydrochloride

C8H10Cl3N5 — CID 2730261

IUPAC1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine;hydrochloride
SMILESCl.NC(N)=N/C(N)=N/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H9Cl2N5.ClH/c9-5-2-1-4(3-6(5)10)14-8(13)15-7(11)12;/h1-3H,(H6,11,12,13,14,15);1H
InChIKeyAMMSXYWPWHREDJ-UHFFFAOYSA-N
MW282.56 g/mol
LogP1.63
Rot. Bonds1

About 1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine;hydrochloride

1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine;hydrochloride (PubChem CID 2730261) has the molecular formula C8H10Cl3N5 and a molecular weight of 282.56 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine;hydrochloride
PubChem CID2730261
Molecular FormulaC8H10Cl3N5
Molecular Weight282.56 g/mol
Exact Mass281.00
IUPAC Name1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine;hydrochloride
SMILESCl.NC(N)=N/C(N)=N/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H9Cl2N5.ClH/c9-5-2-1-4(3-6(5)10)14-8(13)15-7(11)12;/h1-3H,(H6,11,12,13,14,15);1H
InChIKeyAMMSXYWPWHREDJ-UHFFFAOYSA-N
XLogP1.63
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.56
LogP ≤ 51.63
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 1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine;hydrochloride?
The IUPAC name of 1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine;hydrochloride (CID 2730261) is 1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine;hydrochloride.
What is the SMILES notation for 1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine;hydrochloride?
The canonical SMILES for 1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine;hydrochloride is Cl.NC(N)=N/C(N)=N/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine;hydrochloride?
The InChIKey is AMMSXYWPWHREDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N5.ClH/c9-5-2-1-4(3-6(5)10)14-8(13)15-7(11)12;/h1-3H,(H6,11,12,13,14,15);1H.
What are the key properties of 1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine;hydrochloride?
1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine;hydrochloride has a molecular weight of 282.56 g/mol, XLogP of 1.63, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine;hydrochloride is sourced from PubChem (CID 2730261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).