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

C6H11Cl2N7O2 — CID 23581809

IUPAC3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrate;hydrochloride
SMILESCl.NC(N)=NC(=O)c1nc(Cl)c(N)nc1N.O
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
MW284.11 g/mol
LogP-1.69
Rot. Bonds1

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

3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrate;hydrochloride (PubChem CID 23581809) has the molecular formula C6H11Cl2N7O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrate;hydrochloride.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrate;hydrochloride
PubChem CID23581809
Molecular FormulaC6H11Cl2N7O2
Molecular Weight284.11 g/mol
Exact Mass283.04
IUPAC Name3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrate;hydrochloride
SMILESCl.NC(N)=NC(=O)c1nc(Cl)c(N)nc1N.O
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-1.69
TPSA190.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 5-1.69
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
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 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrate;hydrochloride?
The IUPAC name of 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrate;hydrochloride (CID 23581809) is 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrate;hydrochloride.
What is the SMILES notation for 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrate;hydrochloride?
The canonical SMILES for 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrate;hydrochloride is Cl.NC(N)=NC(=O)c1nc(Cl)c(N)nc1N.O.
What is the InChIKey of 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrate;hydrochloride?
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 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrate;hydrochloride?
3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrate;hydrochloride has a molecular weight of 284.11 g/mol, XLogP of -1.69, 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;hydrate;hydrochloride is sourced from PubChem (CID 23581809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).