3,5-diamino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide

C7H11ClN6O — CID 15148129

IUPAC3,5-diamino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide
SMILESNCCNC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C7H11ClN6O/c8-4-6(11)14-5(10)3(13-4)7(15)12-2-1-9/h1-2,9H2,(H,12,15)(H4,10,11,14)
InChIKeyTTYBSICMGFOESB-UHFFFAOYSA-N
MW230.66 g/mol
LogP-1.02
Rot. Bonds3

About 3,5-diamino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide

3,5-diamino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide (PubChem CID 15148129) has the molecular formula C7H11ClN6O and a molecular weight of 230.66 g/mol. Its IUPAC name is 3,5-diamino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide
PubChem CID15148129
Molecular FormulaC7H11ClN6O
Molecular Weight230.66 g/mol
Exact Mass230.07
IUPAC Name3,5-diamino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide
SMILESNCCNC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C7H11ClN6O/c8-4-6(11)14-5(10)3(13-4)7(15)12-2-1-9/h1-2,9H2,(H,12,15)(H4,10,11,14)
InChIKeyTTYBSICMGFOESB-UHFFFAOYSA-N
XLogP-1.02
TPSA132.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide (CID 15148129) is 3,5-diamino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide is NCCNC(=O)c1nc(Cl)c(N)nc1N.
What is the InChIKey of 3,5-diamino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide?
The InChIKey is TTYBSICMGFOESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN6O/c8-4-6(11)14-5(10)3(13-4)7(15)12-2-1-9/h1-2,9H2,(H,12,15)(H4,10,11,14).
What are the key properties of 3,5-diamino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide?
3,5-diamino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide has a molecular weight of 230.66 g/mol, XLogP of -1.02, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide is sourced from PubChem (CID 15148129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).