3,5-diamino-6-chloro-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide

C10H17ClN6O — CID 15148131

IUPAC3,5-diamino-6-chloro-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C10H17ClN6O/c1-17(2)5-3-4-14-10(18)6-8(12)16-9(13)7(11)15-6/h3-5H2,1-2H3,(H,14,18)(H4,12,13,16)
InChIKeyUKGGHPOZOLUBRE-UHFFFAOYSA-N
MW272.74 g/mol
LogP-0.02
Rot. Bonds5

About 3,5-diamino-6-chloro-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide (PubChem CID 15148131) has the molecular formula C10H17ClN6O and a molecular weight of 272.74 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
PubChem CID15148131
Molecular FormulaC10H17ClN6O
Molecular Weight272.74 g/mol
Exact Mass272.12
IUPAC Name3,5-diamino-6-chloro-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1nc(Cl)c(N)nc1N
InChIInChI=1S/C10H17ClN6O/c1-17(2)5-3-4-14-10(18)6-8(12)16-9(13)7(11)15-6/h3-5H2,1-2H3,(H,14,18)(H4,12,13,16)
InChIKeyUKGGHPOZOLUBRE-UHFFFAOYSA-N
XLogP-0.02
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3,5-diamino-6-chloro-N-[3-(dimethylamino)propyl]pyrazine-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 3,5-diamino-6-chloro-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-chloro-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide (CID 15148131) is 3,5-diamino-6-chloro-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-chloro-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide is CN(C)CCCNC(=O)c1nc(Cl)c(N)nc1N.
What is the InChIKey of 3,5-diamino-6-chloro-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide?
The InChIKey is UKGGHPOZOLUBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN6O/c1-17(2)5-3-4-14-10(18)6-8(12)16-9(13)7(11)15-6/h3-5H2,1-2H3,(H,14,18)(H4,12,13,16).
What are the key properties of 3,5-diamino-6-chloro-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 272.74 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 15148131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).