3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide

C6H8ClN7O — CID 16231

💊View drug profile → amiloride
IUPAC3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C6H8ClN7O/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)
InChIKeyXSDQTOBWRPYKKA-UHFFFAOYSA-N
MW229.63 g/mol
LogP-1.29
Rot. Bonds1

About 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide (PubChem CID 16231) has the molecular formula C6H8ClN7O and a molecular weight of 229.63 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
PubChem CID16231
Molecular FormulaC6H8ClN7O
Molecular Weight229.63 g/mol
Exact Mass229.05
IUPAC Name3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C6H8ClN7O/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)
InChIKeyXSDQTOBWRPYKKA-UHFFFAOYSA-N
XLogP-1.29
TPSA159.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.63
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 Hydrochloride
CID 68540
Eipa
CID 1795
Amiloride hydrochloride anhydrous
CID 16230
5-Dimethylamiloride
CID 1793
5-(N-Methyl-N-isobutyl)amiloride
CID 73314
Dimethylamiloride hydrochloride
CID 11957442
N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride hydrate
CID 23581809
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

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide (CID 16231) is 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide is NC(N)=NC(=O)c1nc(Cl)c(N)nc1N.
What is the InChIKey of 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide?
The InChIKey is XSDQTOBWRPYKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN7O/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).
What are the key properties of 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide has a molecular weight of 229.63 g/mol, XLogP of -1.29, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide is sourced from PubChem (CID 16231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).