3,5-diamino-N-(diaminomethylidene)-6-fluoropyrazine-2-carboxamide;hydrochloride

C6H9ClFN7O — CID 70616529

IUPAC3,5-diamino-N-(diaminomethylidene)-6-fluoropyrazine-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1nc(F)c(N)nc1N
InChIInChI=1S/C6H8FN7O.ClH/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
InChIKeyFMADIRTUBLVXSP-UHFFFAOYSA-N
MW249.64 g/mol
LogP-1.38
Rot. Bonds1

About 3,5-diamino-N-(diaminomethylidene)-6-fluoropyrazine-2-carboxamide;hydrochloride

3,5-diamino-N-(diaminomethylidene)-6-fluoropyrazine-2-carboxamide;hydrochloride (PubChem CID 70616529) has the molecular formula C6H9ClFN7O and a molecular weight of 249.64 g/mol. Its IUPAC name is 3,5-diamino-N-(diaminomethylidene)-6-fluoropyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,5-diamino-N-(diaminomethylidene)-6-fluoropyrazine-2-carboxamide;hydrochloride
PubChem CID70616529
Molecular FormulaC6H9ClFN7O
Molecular Weight249.64 g/mol
Exact Mass249.05
IUPAC Name3,5-diamino-N-(diaminomethylidene)-6-fluoropyrazine-2-carboxamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1nc(F)c(N)nc1N
InChIInChI=1S/C6H8FN7O.ClH/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
InChIKeyFMADIRTUBLVXSP-UHFFFAOYSA-N
XLogP-1.38
TPSA159.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 5-1.38
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
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
3,5-diamino-6-bromo-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride
CID 57401408
6-Iodoamiloride
CID 3085183
6-Bromoamiloride
CID 3081948
3,5-diamino-N-(diaminomethyl)-6-fluoropyrazine-2-carboxamide
CID 44289795
5,6-Dichloroamiloride
CID 131271
3,5-diamino-N-[amino(dimethylamino)methylidene]-6-chloropyrazine-2-carboxamide
CID 164787

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(diaminomethylidene)-6-fluoropyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 3,5-diamino-N-(diaminomethylidene)-6-fluoropyrazine-2-carboxamide;hydrochloride (CID 70616529) is 3,5-diamino-N-(diaminomethylidene)-6-fluoropyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3,5-diamino-N-(diaminomethylidene)-6-fluoropyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 3,5-diamino-N-(diaminomethylidene)-6-fluoropyrazine-2-carboxamide;hydrochloride is Cl.NC(N)=NC(=O)c1nc(F)c(N)nc1N.
What is the InChIKey of 3,5-diamino-N-(diaminomethylidene)-6-fluoropyrazine-2-carboxamide;hydrochloride?
The InChIKey is FMADIRTUBLVXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN7O.ClH/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.
What are the key properties of 3,5-diamino-N-(diaminomethylidene)-6-fluoropyrazine-2-carboxamide;hydrochloride?
3,5-diamino-N-(diaminomethylidene)-6-fluoropyrazine-2-carboxamide;hydrochloride has a molecular weight of 249.64 g/mol, XLogP of -1.38, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(diaminomethylidene)-6-fluoropyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 70616529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).