N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride hydrate

C6H11Cl2N7O2 — CID 23581809

IUPAC3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrate;hydrochloride
SMILESC1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.O.Cl
InChIInChI=1S/C6H8ClN7O.ClH.H2O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;;/h(H4,8,9,13)(H4,10,11,14,15);1H;1H2
InChIKeyWDZJJRLYFQNCQL-UHFFFAOYSA-N
MW284.10 g/mol
LogP—
Rot. Bonds1

About N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride hydrate

N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride hydrate (PubChem CID 23581809) has the molecular formula C6H11Cl2N7O2 and a molecular weight of 284.10 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrate;hydrochloride.

Molecular Properties

Compound NameN-Amidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride hydrate
PubChem CID23581809
Molecular FormulaC6H11Cl2N7O2
Molecular Weight284.10 g/mol
Exact Mass283.04
IUPAC Name3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrate;hydrochloride
SMILESC1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.O.Cl
InChIInChI=1S/C6H8ClN7O.ClH.H2O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;;/h(H4,8,9,13)(H4,10,11,14,15);1H;1H2
InChIKeyWDZJJRLYFQNCQL-UHFFFAOYSA-N
XLogP—
TPSA160.00 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity279

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.10
H-Bond Donors ≤ 56
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

Amiloride
CID 16231
Amiloride Hydrochloride
CID 68540
Amiloride hydrochloride anhydrous
CID 16230
5-Dimethylamiloride
CID 1793
Dimethylamiloride hydrochloride
CID 11957442
3,5-Diamino-6-chloropyrazine-2-carboxamide
CID 604343
3,5-diamino-N-(diaminomethylidene)-6-iodopyrazine-2-carboxamide;hydrochloride
CID 20345853
EIPA hydrochloride
CID 56935648
3,5-diamino-6-bromo-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride
CID 57401408
3-Amino-N-(aminoiminomethyl)-6-chloro-5-(methylpropylamino)-2-pyrazinecarboxamide
CID 193326
3,5-Diamino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide
CID 15148129
6-Iodoamiloride
CID 3085183

Frequently Asked Questions

What is the IUPAC name of N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride hydrate?
The IUPAC name of N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride hydrate (CID 23581809) is 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrate;hydrochloride.
What is the SMILES notation for N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride hydrate?
The canonical SMILES for N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride hydrate is C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.O.Cl.
What is the InChIKey of N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride hydrate?
The InChIKey is WDZJJRLYFQNCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN7O.ClH.H2O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;;/h(H4,8,9,13)(H4,10,11,14,15);1H;1H2.
What are the key properties of N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride hydrate?
N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride hydrate has a molecular weight of 284.10 g/mol, XLogP of not available, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride hydrate is sourced from PubChem (CID 23581809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).