Eipa

C11H18ClN7O — CID 1795

IUPAC3-amino-6-chloro-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide
SMILESCCN(C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N)C(C)C
InChIInChI=1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)
InChIKeyQDERNBXNXJCIQK-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.30
Rot. Bonds4

About Eipa

Eipa (PubChem CID 1795) has the molecular formula C11H18ClN7O and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-amino-6-chloro-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameEipa
PubChem CID1795
Molecular FormulaC11H18ClN7O
Molecular Weight299.76 g/mol
Exact Mass299.13
IUPAC Name3-amino-6-chloro-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide
SMILESCCN(C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N)C(C)C
InChIInChI=1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)
InChIKeyQDERNBXNXJCIQK-UHFFFAOYSA-N
XLogP1.30
TPSA137.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity372

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.30
H-Bond Donors ≤ 53
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
Hexamethylene amiloride
CID 1794
Amiloride hydrochloride anhydrous
CID 16230
5-Dimethylamiloride
CID 1793
5-(N-Methyl-N-isobutyl)amiloride
CID 73314
Dimethylamiloride hydrochloride
CID 11957442
3,5-Diamino-6-chloropyrazine-2-carboxamide
CID 604343
N(5)-piperidine-amiloride
CID 195390
N-(3,5-diamino-6-chloropyrazine-2-carbonyl)-N''-hexylguanidine
CID 11581093
N-(3,5-diamino-6-chloropyrazine-2-carbonyl)-N''-(2-hydroxyethyl)guanidine
CID 11594744
N-(3,5-diamino-6-chloropyrazine-2-carbonyl)-N''-octylguanidine
CID 11625053
[(2S)-1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]butan-2-yl]-trimethylazanium iodide
CID 44548152

Frequently Asked Questions

What is the IUPAC name of Eipa?
The IUPAC name of Eipa (CID 1795) is 3-amino-6-chloro-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for Eipa?
The canonical SMILES for Eipa is CCN(C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N)C(C)C.
What is the InChIKey of Eipa?
The InChIKey is QDERNBXNXJCIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20).
What are the key properties of Eipa?
Eipa has a molecular weight of 299.76 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Eipa is sourced from PubChem (CID 1795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).