3-amino-6-chloro-N-(diaminomethylidene)-5-morpholin-4-ylpyrazine-2-carboxamide

C10H14ClN7O2 — CID 44574747

IUPAC3-amino-6-chloro-N-(diaminomethylidene)-5-morpholin-4-ylpyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1nc(Cl)c(N2CCOCC2)nc1N
InChIInChI=1S/C10H14ClN7O2/c11-6-8(18-1-3-20-4-2-18)16-7(12)5(15-6)9(19)17-10(13)14/h1-4H2,(H2,12,16)(H4,13,14,17,19)
InChIKeyITURJJGPYPLUPY-UHFFFAOYSA-N
MW299.72 g/mol
LogP-1.04
Rot. Bonds2

About 3-amino-6-chloro-N-(diaminomethylidene)-5-morpholin-4-ylpyrazine-2-carboxamide

3-amino-6-chloro-N-(diaminomethylidene)-5-morpholin-4-ylpyrazine-2-carboxamide (PubChem CID 44574747) has the molecular formula C10H14ClN7O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 3-amino-6-chloro-N-(diaminomethylidene)-5-morpholin-4-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-N-(diaminomethylidene)-5-morpholin-4-ylpyrazine-2-carboxamide
PubChem CID44574747
Molecular FormulaC10H14ClN7O2
Molecular Weight299.72 g/mol
Exact Mass299.09
IUPAC Name3-amino-6-chloro-N-(diaminomethylidene)-5-morpholin-4-ylpyrazine-2-carboxamide
SMILESNC(N)=NC(=O)c1nc(Cl)c(N2CCOCC2)nc1N
InChIInChI=1S/C10H14ClN7O2/c11-6-8(18-1-3-20-4-2-18)16-7(12)5(15-6)9(19)17-10(13)14/h1-4H2,(H2,12,16)(H4,13,14,17,19)
InChIKeyITURJJGPYPLUPY-UHFFFAOYSA-N
XLogP-1.04
TPSA145.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 5-1.04
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-(diaminomethylidene)-5-morpholin-4-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-N-(diaminomethylidene)-5-morpholin-4-ylpyrazine-2-carboxamide (CID 44574747) is 3-amino-6-chloro-N-(diaminomethylidene)-5-morpholin-4-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-N-(diaminomethylidene)-5-morpholin-4-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-N-(diaminomethylidene)-5-morpholin-4-ylpyrazine-2-carboxamide is NC(N)=NC(=O)c1nc(Cl)c(N2CCOCC2)nc1N.
What is the InChIKey of 3-amino-6-chloro-N-(diaminomethylidene)-5-morpholin-4-ylpyrazine-2-carboxamide?
The InChIKey is ITURJJGPYPLUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN7O2/c11-6-8(18-1-3-20-4-2-18)16-7(12)5(15-6)9(19)17-10(13)14/h1-4H2,(H2,12,16)(H4,13,14,17,19).
What are the key properties of 3-amino-6-chloro-N-(diaminomethylidene)-5-morpholin-4-ylpyrazine-2-carboxamide?
3-amino-6-chloro-N-(diaminomethylidene)-5-morpholin-4-ylpyrazine-2-carboxamide has a molecular weight of 299.72 g/mol, XLogP of -1.04, 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-morpholin-4-ylpyrazine-2-carboxamide is sourced from PubChem (CID 44574747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).