1,2-diamino-3-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine

C8H10Cl2N6 — CID 155130444

IUPAC1,2-diamino-3-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine
SMILESN/N=C(\NN)N/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H10Cl2N6/c9-6-2-1-5(7(10)3-6)4-13-16-8(14-11)15-12/h1-4H,11-12H2,(H2,14,15,16)/b13-4+
InChIKeyDEDROKAOQRLGEW-YIXHJXPBSA-N
MW261.12 g/mol
LogP0.61
Rot. Bonds2

About 1,2-diamino-3-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine

1,2-diamino-3-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine (PubChem CID 155130444) has the molecular formula C8H10Cl2N6 and a molecular weight of 261.12 g/mol. Its IUPAC name is 1,2-diamino-3-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1,2-diamino-3-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine
PubChem CID155130444
Molecular FormulaC8H10Cl2N6
Molecular Weight261.12 g/mol
Exact Mass260.03
IUPAC Name1,2-diamino-3-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine
SMILESN/N=C(\NN)N/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H10Cl2N6/c9-6-2-1-5(7(10)3-6)4-13-16-8(14-11)15-12/h1-4H,11-12H2,(H2,14,15,16)/b13-4+
InChIKeyDEDROKAOQRLGEW-YIXHJXPBSA-N
XLogP0.61
TPSA100.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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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Related Compounds

[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
1,2-bis[(2,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride
CID 140813801
N-[(2,4-dichlorophenyl)methylideneamino]methanamine
CID 67650124
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 139068920
3-amino-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
CID 6865637
N-[(2,4-dichlorophenyl)methylideneamino]methanesulfonamide
CID 867204
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5339824
N-(4-carbamoylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 19660758

Frequently Asked Questions

What is the IUPAC name of 1,2-diamino-3-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine?
The IUPAC name of 1,2-diamino-3-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine (CID 155130444) is 1,2-diamino-3-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine.
What is the SMILES notation for 1,2-diamino-3-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine?
The canonical SMILES for 1,2-diamino-3-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine is N/N=C(\NN)N/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of 1,2-diamino-3-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine?
The InChIKey is DEDROKAOQRLGEW-YIXHJXPBSA-N. The full InChI is InChI=1S/C8H10Cl2N6/c9-6-2-1-5(7(10)3-6)4-13-16-8(14-11)15-12/h1-4H,11-12H2,(H2,14,15,16)/b13-4+.
What are the key properties of 1,2-diamino-3-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine?
1,2-diamino-3-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine has a molecular weight of 261.12 g/mol, XLogP of 0.61, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diamino-3-[(E)-(2,4-dichlorophenyl)methylideneamino]guanidine is sourced from PubChem (CID 155130444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).