3-amino-6-chloro-N-(diaminomethylidene)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide

C11H17ClN8O — CID 44574746

IUPAC3-amino-6-chloro-N-(diaminomethylidene)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCN1CCN(c2nc(N)c(C(=O)N=C(N)N)nc2Cl)CC1
InChIInChI=1S/C11H17ClN8O/c1-19-2-4-20(5-3-19)9-7(12)16-6(8(13)17-9)10(21)18-11(14)15/h2-5H2,1H3,(H2,13,17)(H4,14,15,18,21)
InChIKeyJGZOUTLCNKZOFV-UHFFFAOYSA-N
MW312.77 g/mol
LogP-1.12
Rot. Bonds2

About 3-amino-6-chloro-N-(diaminomethylidene)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide

3-amino-6-chloro-N-(diaminomethylidene)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide (PubChem CID 44574746) has the molecular formula C11H17ClN8O and a molecular weight of 312.77 g/mol. Its IUPAC name is 3-amino-6-chloro-N-(diaminomethylidene)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-N-(diaminomethylidene)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
PubChem CID44574746
Molecular FormulaC11H17ClN8O
Molecular Weight312.77 g/mol
Exact Mass312.12
IUPAC Name3-amino-6-chloro-N-(diaminomethylidene)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
SMILESCN1CCN(c2nc(N)c(C(=O)N=C(N)N)nc2Cl)CC1
InChIInChI=1S/C11H17ClN8O/c1-19-2-4-20(5-3-19)9-7(12)16-6(8(13)17-9)10(21)18-11(14)15/h2-5H2,1H3,(H2,13,17)(H4,14,15,18,21)
InChIKeyJGZOUTLCNKZOFV-UHFFFAOYSA-N
XLogP-1.12
TPSA139.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-amino-6-chloro-N-(diaminomethylidene)-5-(4-methylpiperazin-1-yl)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-amino-6-chloro-N-(diaminomethylidene)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-N-(diaminomethylidene)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide (CID 44574746) is 3-amino-6-chloro-N-(diaminomethylidene)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-N-(diaminomethylidene)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-N-(diaminomethylidene)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide is CN1CCN(c2nc(N)c(C(=O)N=C(N)N)nc2Cl)CC1.
What is the InChIKey of 3-amino-6-chloro-N-(diaminomethylidene)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
The InChIKey is JGZOUTLCNKZOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN8O/c1-19-2-4-20(5-3-19)9-7(12)16-6(8(13)17-9)10(21)18-11(14)15/h2-5H2,1H3,(H2,13,17)(H4,14,15,18,21).
What are the key properties of 3-amino-6-chloro-N-(diaminomethylidene)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide?
3-amino-6-chloro-N-(diaminomethylidene)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide has a molecular weight of 312.77 g/mol, XLogP of -1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-(diaminomethylidene)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 44574746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).