2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine

C8H7Cl3N4 — CID 140863883

IUPAC2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl3N4/c9-5-1-4(2-6(10)7(5)11)3-14-15-8(12)13/h1-3H,(H4,12,13,15)
InChIKeyDNPBDNDYCVYQTL-UHFFFAOYSA-N
MW265.53 g/mol
LogP2.25
Rot. Bonds2

About 2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine

2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine (PubChem CID 140863883) has the molecular formula C8H7Cl3N4 and a molecular weight of 265.53 g/mol. Its IUPAC name is 2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine
PubChem CID140863883
Molecular FormulaC8H7Cl3N4
Molecular Weight265.53 g/mol
Exact Mass263.97
IUPAC Name2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl3N4/c9-5-1-4(2-6(10)7(5)11)3-14-15-8(12)13/h1-3H,(H4,12,13,15)
InChIKeyDNPBDNDYCVYQTL-UHFFFAOYSA-N
XLogP2.25
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.53
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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-[(3,5-dichlorophenyl)methylideneamino]guanidine
CID 66842284
2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine
CID 66842140
2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine
CID 140931951
2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]guanidine
CID 73146438
2-[(E)-benzylideneamino]guanidine;2-[(E)-(2-chloro-4,5-difluorophenyl)methylideneamino]guanidine;2-[(E)-(3,5-dichlorophenyl)methylideneamino]guanidine
CID 172956767
2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3-pyridinyl]methylideneamino]guanidine
CID 142491979
2-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]guanidine
CID 168591423
2-aminoguanidine;methane;2,3,5-trichlorobenzaldehyde;2-[(E)-(2,3,5-trichlorophenyl)methylideneamino]guanidine;hydrochloride
CID 172946653
2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 2387812
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
[2-chloro-4-[(diaminomethylidenehydrazinylidene)methyl]phenyl] trifluoromethanesulfonate
CID 168591800
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592991

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine (CID 140863883) is 2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine is NC(N)=NN=Cc1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine?
The InChIKey is DNPBDNDYCVYQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3N4/c9-5-1-4(2-6(10)7(5)11)3-14-15-8(12)13/h1-3H,(H4,12,13,15).
What are the key properties of 2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine?
2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine has a molecular weight of 265.53 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine is sourced from PubChem (CID 140863883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).