3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide

C8H12ClN7O2 — CID 11594744

IUPAC3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide
SMILESN/C(=N\CCO)NC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C8H12ClN7O2/c9-4-6(11)15-5(10)3(14-4)7(18)16-8(12)13-1-2-17/h17H,1-2H2,(H4,10,11,15)(H3,12,13,16,18)
InChIKeyXDNGHABKLHZEOG-UHFFFAOYSA-N
MW273.68 g/mol
LogP-1.67
Rot. Bonds3

About 3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide (PubChem CID 11594744) has the molecular formula C8H12ClN7O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide
PubChem CID11594744
Molecular FormulaC8H12ClN7O2
Molecular Weight273.68 g/mol
Exact Mass273.07
IUPAC Name3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide
SMILESN/C(=N\CCO)NC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C8H12ClN7O2/c9-4-6(11)15-5(10)3(14-4)7(18)16-8(12)13-1-2-17/h17H,1-2H2,(H4,10,11,15)(H3,12,13,16,18)
InChIKeyXDNGHABKLHZEOG-UHFFFAOYSA-N
XLogP-1.67
TPSA165.53 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 5-1.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide (CID 11594744) is 3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide is N/C(=N\CCO)NC(=O)c1nc(Cl)c(N)nc1N.
What is the InChIKey of 3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide?
The InChIKey is XDNGHABKLHZEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN7O2/c9-4-6(11)15-5(10)3(14-4)7(18)16-8(12)13-1-2-17/h17H,1-2H2,(H4,10,11,15)(H3,12,13,16,18).
What are the key properties of 3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide has a molecular weight of 273.68 g/mol, XLogP of -1.67, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide is sourced from PubChem (CID 11594744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).