2-(4-chloroanilino)-1-(diaminomethylidene)guanidine;hydrochloride

C8H12Cl2N6 — CID 175205005

IUPAC2-(4-chloroanilino)-1-(diaminomethylidene)guanidine;hydrochloride
SMILESCl.NC(N)=NC(N)=NNc1ccc(Cl)cc1
InChIInChI=1S/C8H11ClN6.ClH/c9-5-1-3-6(4-2-5)14-15-8(12)13-7(10)11;/h1-4,14H,(H6,10,11,12,13,15);1H
InChIKeyTVAMQBUENNFJCW-UHFFFAOYSA-N
MW263.13 g/mol
LogP0.68
Rot. Bonds2

About 2-(4-chloroanilino)-1-(diaminomethylidene)guanidine;hydrochloride

2-(4-chloroanilino)-1-(diaminomethylidene)guanidine;hydrochloride (PubChem CID 175205005) has the molecular formula C8H12Cl2N6 and a molecular weight of 263.13 g/mol. Its IUPAC name is 2-(4-chloroanilino)-1-(diaminomethylidene)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(4-chloroanilino)-1-(diaminomethylidene)guanidine;hydrochloride
PubChem CID175205005
Molecular FormulaC8H12Cl2N6
Molecular Weight263.13 g/mol
Exact Mass262.05
IUPAC Name2-(4-chloroanilino)-1-(diaminomethylidene)guanidine;hydrochloride
SMILESCl.NC(N)=NC(N)=NNc1ccc(Cl)cc1
InChIInChI=1S/C8H11ClN6.ClH/c9-5-1-3-6(4-2-5)14-15-8(12)13-7(10)11;/h1-4,14H,(H6,10,11,12,13,15);1H
InChIKeyTVAMQBUENNFJCW-UHFFFAOYSA-N
XLogP0.68
TPSA114.81 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 50.68
H-Bond Donors ≤ 54
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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Related Compounds

N-(4-chlorophenyl)ethanehydrazonoyl chloride
CID 86039764
2-[N'-[6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl]carbamimidoyl]-1,3-bis(4-chlorophenyl)guanidine;dihydrochloride
CID 20843964
(1Z)-2-(4-chloroanilino)-N-(4-chlorophenyl)-2-oxoethanehydrazonoyl chloride
CID 15626985
2-[(4-chlorophenyl)-phenylmethyl]-1-(diaminomethylidene)guanidine;hydrochloride
CID 90034255
2-amino-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide
CID 2814561
bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane
CID 70021727
3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
CID 4562553
(2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 6389425
4-chloro-N-(1-phenylethylideneamino)aniline
CID 78572712
2-[2-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]ethyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
CID 70500438
2-(3-chloroanilino)-1-oxoguanidine
CID 46183330
ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 71443533

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-1-(diaminomethylidene)guanidine;hydrochloride?
The IUPAC name of 2-(4-chloroanilino)-1-(diaminomethylidene)guanidine;hydrochloride (CID 175205005) is 2-(4-chloroanilino)-1-(diaminomethylidene)guanidine;hydrochloride.
What is the SMILES notation for 2-(4-chloroanilino)-1-(diaminomethylidene)guanidine;hydrochloride?
The canonical SMILES for 2-(4-chloroanilino)-1-(diaminomethylidene)guanidine;hydrochloride is Cl.NC(N)=NC(N)=NNc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)-1-(diaminomethylidene)guanidine;hydrochloride?
The InChIKey is TVAMQBUENNFJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN6.ClH/c9-5-1-3-6(4-2-5)14-15-8(12)13-7(10)11;/h1-4,14H,(H6,10,11,12,13,15);1H.
What are the key properties of 2-(4-chloroanilino)-1-(diaminomethylidene)guanidine;hydrochloride?
2-(4-chloroanilino)-1-(diaminomethylidene)guanidine;hydrochloride has a molecular weight of 263.13 g/mol, XLogP of 0.68, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-1-(diaminomethylidene)guanidine;hydrochloride is sourced from PubChem (CID 175205005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).