3,5-diamino-6-chloro-N-(N,N-dimethylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride

C8H13Cl2N7O — CID 137321662

IUPAC3,5-diamino-6-chloro-N-(N,N-dimethylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride
SMILESCl.[H]/N=C(/NC(=O)c1nc(Cl)c(N)nc1N)N(C)C
InChIInChI=1S/C8H12ClN7O.ClH/c1-16(2)8(12)15-7(17)3-5(10)14-6(11)4(9)13-3;/h1-2H3,(H4,10,11,14)(H2,12,15,17);1H
InChIKeyOSRRJFSUYDBCSM-UHFFFAOYSA-N
MW294.15 g/mol
LogP-0.06
Rot. Bonds1

About 3,5-diamino-6-chloro-N-(N,N-dimethylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride

3,5-diamino-6-chloro-N-(N,N-dimethylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride (PubChem CID 137321662) has the molecular formula C8H13Cl2N7O and a molecular weight of 294.15 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-(N,N-dimethylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-(N,N-dimethylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride
PubChem CID137321662
Molecular FormulaC8H13Cl2N7O
Molecular Weight294.15 g/mol
Exact Mass293.06
IUPAC Name3,5-diamino-6-chloro-N-(N,N-dimethylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride
SMILESCl.[H]/N=C(/NC(=O)c1nc(Cl)c(N)nc1N)N(C)C
InChIInChI=1S/C8H12ClN7O.ClH/c1-16(2)8(12)15-7(17)3-5(10)14-6(11)4(9)13-3;/h1-2H3,(H4,10,11,14)(H2,12,15,17);1H
InChIKeyOSRRJFSUYDBCSM-UHFFFAOYSA-N
XLogP-0.06
TPSA134.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,5-diamino-6-chloro-N-[N-(4-methylpiperazine-1-carbonyl)carbamimidoyl]pyrazine-2-carboxamide
CID 173450493
3,5-diamino-6-chloropyrazine-2-carboxamide
CID 604343
3,5-diamino-6-chloro-N-[4-(dimethylamino)butyl]pyrazine-2-carboxamide
CID 57393343
3,5-diamino-6-chloropyrazine-2-carboximidamide
CID 143760952
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
3,5-diamino-6-chloro-N-[(E)-hydrazinylidenemethyl]pyrazine-2-carboxamide;hydrochloride
CID 135568542
1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]propan-2-yl-trimethylazanium
CID 58398853
3,5-diamino-6-chloro-N-[(E)-N'-(4,5-dihydro-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboxamide
CID 88732522
3,5-diamino-6-chloro-N-(N'-octylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride
CID 11625052
3,5-diamino-N-[N'-[12-(1-aminoethylideneamino)dodecyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;dihydrochloride
CID 159356412
3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide;hydrobromide
CID 162336366
3,5-diamino-N-[(2R)-2-aminobutyl]-6-chloropyrazine-2-carboxamide
CID 44513113

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-(N,N-dimethylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 3,5-diamino-6-chloro-N-(N,N-dimethylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride (CID 137321662) is 3,5-diamino-6-chloro-N-(N,N-dimethylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3,5-diamino-6-chloro-N-(N,N-dimethylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 3,5-diamino-6-chloro-N-(N,N-dimethylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride is Cl.[H]/N=C(/NC(=O)c1nc(Cl)c(N)nc1N)N(C)C.
What is the InChIKey of 3,5-diamino-6-chloro-N-(N,N-dimethylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride?
The InChIKey is OSRRJFSUYDBCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN7O.ClH/c1-16(2)8(12)15-7(17)3-5(10)14-6(11)4(9)13-3;/h1-2H3,(H4,10,11,14)(H2,12,15,17);1H.
What are the key properties of 3,5-diamino-6-chloro-N-(N,N-dimethylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride?
3,5-diamino-6-chloro-N-(N,N-dimethylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride has a molecular weight of 294.15 g/mol, XLogP of -0.06, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-(N,N-dimethylcarbamimidoyl)pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 137321662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).