3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride

C6H9Cl2N7O — CID 135568542

IUPAC3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride
SMILESCl.N/N=C/NC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C6H8ClN7O.ClH/c7-3-5(9)14-4(8)2(13-3)6(15)11-1-12-10;/h1H,10H2,(H4,8,9,14)(H,11,12,15);1H
InChIKeyAKTBIKVBWLLDEP-UHFFFAOYSA-N
MW266.09 g/mol
LogP-0.65
Rot. Bonds2

About 3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride

3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride (PubChem CID 135568542) has the molecular formula C6H9Cl2N7O and a molecular weight of 266.09 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride
PubChem CID135568542
Molecular FormulaC6H9Cl2N7O
Molecular Weight266.09 g/mol
Exact Mass265.02
IUPAC Name3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride
SMILESCl.N/N=C/NC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C6H8ClN7O.ClH/c7-3-5(9)14-4(8)2(13-3)6(15)11-1-12-10;/h1H,10H2,(H4,8,9,14)(H,11,12,15);1H
InChIKeyAKTBIKVBWLLDEP-UHFFFAOYSA-N
XLogP-0.65
TPSA145.30 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

3,5-diamino-N-[(E)-(benzhydrylhydrazinylidene)methyl]-6-chloropyrazine-2-carboxamide
CID 177489468
3,5-diamino-6-chloropyrazine-2-carboxamide
CID 604343
3,5-diamino-6-chloro-N-[2-(diaminomethylideneamino)ethyl]pyrazine-2-carboxamide
CID 14406036
3,5-diamino-6-chloro-N-[[(1,1-dioxothiolan-3-yl)hydrazinylidene]methyl]pyrazine-2-carboxamide;hydrate
CID 162223438
3,5-diamino-6-chloro-N-[(E)-[(2,4-dimethylphenyl)methylhydrazinylidene]methyl]pyrazine-2-carboxamide
CID 135596587
3,5-diamino-6-chloro-N-[N'-[2-[2-[2-(diaminomethylideneamino)ethoxy]ethoxy]ethyl]carbamimidoyl]pyrazine-2-carboxamide;dihydrochloride
CID 11540165
3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;methanesulfonic acid
CID 175022867
3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide;hydrobromide
CID 162336366
3,5-diamino-6-chloro-N-(N,N-dimethylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride
CID 137321662
3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide
CID 44513113
3,5-diamino-N-[N'-[2-[bis[2-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]ethyl]amino]ethyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 24739919
1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]propan-2-yl-trimethylazanium
CID 58398853

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride (CID 135568542) is 3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride is Cl.N/N=C/NC(=O)c1nc(Cl)c(N)nc1N.
What is the InChIKey of 3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride?
The InChIKey is AKTBIKVBWLLDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN7O.ClH/c7-3-5(9)14-4(8)2(13-3)6(15)11-1-12-10;/h1H,10H2,(H4,8,9,14)(H,11,12,15);1H.
What are the key properties of 3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride?
3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride has a molecular weight of 266.09 g/mol, XLogP of -0.65, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 135568542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).