2-[1-(2,4-dichlorophenyl)ethylideneamino]guanidine

C9H10Cl2N4 — CID 3859359

IUPAC2-[1-(2,4-dichlorophenyl)ethylideneamino]guanidine
SMILESCC(=NN=C(N)N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2N4/c1-5(14-15-9(12)13)7-3-2-6(10)4-8(7)11/h2-4H,1H3,(H4,12,13,15)
InChIKeyHTTXEKCZUKHDEX-UHFFFAOYSA-N
MW245.11 g/mol
LogP1.99
Rot. Bonds2

About 2-[1-(2,4-dichlorophenyl)ethylideneamino]guanidine

2-[1-(2,4-dichlorophenyl)ethylideneamino]guanidine (PubChem CID 3859359) has the molecular formula C9H10Cl2N4 and a molecular weight of 245.11 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)ethylideneamino]guanidine
PubChem CID3859359
Molecular FormulaC9H10Cl2N4
Molecular Weight245.11 g/mol
Exact Mass244.03
IUPAC Name2-[1-(2,4-dichlorophenyl)ethylideneamino]guanidine
SMILESCC(=NN=C(N)N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2N4/c1-5(14-15-9(12)13)7-3-2-6(10)4-8(7)11/h2-4H,1H3,(H4,12,13,15)
InChIKeyHTTXEKCZUKHDEX-UHFFFAOYSA-N
XLogP1.99
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 51.99
H-Bond Donors ≤ 52
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-[1-(2,4-dichlorophenyl)ethylideneamino]guanidine?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)ethylideneamino]guanidine (CID 3859359) is 2-[1-(2,4-dichlorophenyl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)ethylideneamino]guanidine?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)ethylideneamino]guanidine is CC(=NN=C(N)N)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)ethylideneamino]guanidine?
The InChIKey is HTTXEKCZUKHDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4/c1-5(14-15-9(12)13)7-3-2-6(10)4-8(7)11/h2-4H,1H3,(H4,12,13,15).
What are the key properties of 2-[1-(2,4-dichlorophenyl)ethylideneamino]guanidine?
2-[1-(2,4-dichlorophenyl)ethylideneamino]guanidine has a molecular weight of 245.11 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)ethylideneamino]guanidine is sourced from PubChem (CID 3859359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).