1-(diaminomethylidene)-2-(3,5-dichlorophenyl)guanidine;hydrochloride

C8H10Cl3N5 — CID 2729977

IUPAC1-(diaminomethylidene)-2-(3,5-dichlorophenyl)guanidine;hydrochloride
SMILESCl.NC(N)=N/C(N)=N/c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H9Cl2N5.ClH/c9-4-1-5(10)3-6(2-4)14-8(13)15-7(11)12;/h1-3H,(H6,11,12,13,14,15);1H
InChIKeyMGZOKKDDBDONAF-UHFFFAOYSA-N
MW282.56 g/mol
LogP1.63
Rot. Bonds1

About 1-(diaminomethylidene)-2-(3,5-dichlorophenyl)guanidine;hydrochloride

1-(diaminomethylidene)-2-(3,5-dichlorophenyl)guanidine;hydrochloride (PubChem CID 2729977) has the molecular formula C8H10Cl3N5 and a molecular weight of 282.56 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(3,5-dichlorophenyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(3,5-dichlorophenyl)guanidine;hydrochloride
PubChem CID2729977
Molecular FormulaC8H10Cl3N5
Molecular Weight282.56 g/mol
Exact Mass281.00
IUPAC Name1-(diaminomethylidene)-2-(3,5-dichlorophenyl)guanidine;hydrochloride
SMILESCl.NC(N)=N/C(N)=N/c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H9Cl2N5.ClH/c9-4-1-5(10)3-6(2-4)14-8(13)15-7(11)12;/h1-3H,(H6,11,12,13,14,15);1H
InChIKeyMGZOKKDDBDONAF-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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Related Compounds

3,5-Dichloroaniline
CID 12281
(4-Chlorophenyl)biguanide
CID 19933
N-(Chlorophenyl)-N'-Hydroxyguanidine
CID 181426
Imidodicarbonimidic diamide, N-(3-chlorophenyl)-, hydrochloride (1:1)
CID 2730228
N-(3-Chlorophenyl)guanidine
CID 10374840
N-(4-Chlorophenyl)guanidine
CID 2757788
1-(4-Chlorophenyl)-3-cyanoguanidine
CID 15140
N-(3-Chlorophenyl)imidodicarbonimidic diamide
CID 1354
N-(3,5-dichlorophenyl)imidodicarbonimidic diamide
CID 558969
1-(3,4,5-Trichlorophenyl)guanidine
CID 10243306
Chlorophenylguanidine
CID 12253678
1-(3,5-Dichlorophenyl)guanidine
CID 12253688

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(3,5-dichlorophenyl)guanidine;hydrochloride?
The IUPAC name of 1-(diaminomethylidene)-2-(3,5-dichlorophenyl)guanidine;hydrochloride (CID 2729977) is 1-(diaminomethylidene)-2-(3,5-dichlorophenyl)guanidine;hydrochloride.
What is the SMILES notation for 1-(diaminomethylidene)-2-(3,5-dichlorophenyl)guanidine;hydrochloride?
The canonical SMILES for 1-(diaminomethylidene)-2-(3,5-dichlorophenyl)guanidine;hydrochloride is Cl.NC(N)=N/C(N)=N/c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-(3,5-dichlorophenyl)guanidine;hydrochloride?
The InChIKey is MGZOKKDDBDONAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N5.ClH/c9-4-1-5(10)3-6(2-4)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-(3,5-dichlorophenyl)guanidine;hydrochloride?
1-(diaminomethylidene)-2-(3,5-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-(3,5-dichlorophenyl)guanidine;hydrochloride is sourced from PubChem (CID 2729977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).