1-(diaminomethylidene)-2-[(3,4-dichlorophenyl)methyl]guanidine

C9H11Cl2N5 — CID 11426470

IUPAC1-(diaminomethylidene)-2-[(3,4-dichlorophenyl)methyl]guanidine
SMILESNC(N)=N/C(N)=N/Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2N5/c10-6-2-1-5(3-7(6)11)4-15-9(14)16-8(12)13/h1-3H,4H2,(H6,12,13,14,15,16)
InChIKeyZHZPKDJDPIALEI-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.08
Rot. Bonds2

About 1-(diaminomethylidene)-2-[(3,4-dichlorophenyl)methyl]guanidine

1-(diaminomethylidene)-2-[(3,4-dichlorophenyl)methyl]guanidine (PubChem CID 11426470) has the molecular formula C9H11Cl2N5 and a molecular weight of 260.13 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[(3,4-dichlorophenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[(3,4-dichlorophenyl)methyl]guanidine
PubChem CID11426470
Molecular FormulaC9H11Cl2N5
Molecular Weight260.13 g/mol
Exact Mass259.04
IUPAC Name1-(diaminomethylidene)-2-[(3,4-dichlorophenyl)methyl]guanidine
SMILESNC(N)=N/C(N)=N/Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H11Cl2N5/c10-6-2-1-5(3-7(6)11)4-15-9(14)16-8(12)13/h1-3H,4H2,(H6,12,13,14,15,16)
InChIKeyZHZPKDJDPIALEI-UHFFFAOYSA-N
XLogP1.08
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.08
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)methyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[(3,4-dichlorophenyl)methyl]guanidine (CID 11426470) is 1-(diaminomethylidene)-2-[(3,4-dichlorophenyl)methyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[(3,4-dichlorophenyl)methyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[(3,4-dichlorophenyl)methyl]guanidine is NC(N)=N/C(N)=N/Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-[(3,4-dichlorophenyl)methyl]guanidine?
The InChIKey is ZHZPKDJDPIALEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N5/c10-6-2-1-5(3-7(6)11)4-15-9(14)16-8(12)13/h1-3H,4H2,(H6,12,13,14,15,16).
What are the key properties of 1-(diaminomethylidene)-2-[(3,4-dichlorophenyl)methyl]guanidine?
1-(diaminomethylidene)-2-[(3,4-dichlorophenyl)methyl]guanidine has a molecular weight of 260.13 g/mol, XLogP of 1.08, 2 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)methyl]guanidine is sourced from PubChem (CID 11426470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).