3-amino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide

C7H10ClN5O — CID 129416054

IUPAC3-amino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide
SMILESNCCNC(=O)c1nc(Cl)cnc1N
InChIInChI=1S/C7H10ClN5O/c8-4-3-12-6(10)5(13-4)7(14)11-2-1-9/h3H,1-2,9H2,(H2,10,12)(H,11,14)
InChIKeyJVTHAAZKDGQXBB-UHFFFAOYSA-N
MW215.64 g/mol
LogP-0.60
Rot. Bonds3

About 3-amino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide

3-amino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide (PubChem CID 129416054) has the molecular formula C7H10ClN5O and a molecular weight of 215.64 g/mol. Its IUPAC name is 3-amino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide
PubChem CID129416054
Molecular FormulaC7H10ClN5O
Molecular Weight215.64 g/mol
Exact Mass215.06
IUPAC Name3-amino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide
SMILESNCCNC(=O)c1nc(Cl)cnc1N
InChIInChI=1S/C7H10ClN5O/c8-4-3-12-6(10)5(13-4)7(14)11-2-1-9/h3H,1-2,9H2,(H2,10,12)(H,11,14)
InChIKeyJVTHAAZKDGQXBB-UHFFFAOYSA-N
XLogP-0.60
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide (CID 129416054) is 3-amino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide is NCCNC(=O)c1nc(Cl)cnc1N.
What is the InChIKey of 3-amino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide?
The InChIKey is JVTHAAZKDGQXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN5O/c8-4-3-12-6(10)5(13-4)7(14)11-2-1-9/h3H,1-2,9H2,(H2,10,12)(H,11,14).
What are the key properties of 3-amino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide?
3-amino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide has a molecular weight of 215.64 g/mol, XLogP of -0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide is sourced from PubChem (CID 129416054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).