3,5-diamino-N-[amino-(1H-imidazole-2-carbonylamino)methylidene]-6-chloropyrazine-2-carboxamide

C10H10ClN9O2 — CID 88807331

IUPAC3,5-diamino-N-[amino-(1H-imidazole-2-carbonylamino)methylidene]-6-chloropyrazine-2-carboxamide
SMILESN/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NC(=O)c1ncc[nH]1
InChIInChI=1S/C10H10ClN9O2/c11-4-6(13)18-5(12)3(17-4)8(21)19-10(14)20-9(22)7-15-1-2-16-7/h1-2H,(H,15,16)(H4,12,13,18)(H3,14,19,20,21,22)
InChIKeyXUHBPBYYSVXSAR-UHFFFAOYSA-N
MW323.70 g/mol
LogP-1.10
Rot. Bonds2

About 3,5-diamino-N-[amino-(1H-imidazole-2-carbonylamino)methylidene]-6-chloropyrazine-2-carboxamide

3,5-diamino-N-[amino-(1H-imidazole-2-carbonylamino)methylidene]-6-chloropyrazine-2-carboxamide (PubChem CID 88807331) has the molecular formula C10H10ClN9O2 and a molecular weight of 323.70 g/mol. Its IUPAC name is 3,5-diamino-N-[amino-(1H-imidazole-2-carbonylamino)methylidene]-6-chloropyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-[amino-(1H-imidazole-2-carbonylamino)methylidene]-6-chloropyrazine-2-carboxamide
PubChem CID88807331
Molecular FormulaC10H10ClN9O2
Molecular Weight323.70 g/mol
Exact Mass323.06
IUPAC Name3,5-diamino-N-[amino-(1H-imidazole-2-carbonylamino)methylidene]-6-chloropyrazine-2-carboxamide
SMILESN/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NC(=O)c1ncc[nH]1
InChIInChI=1S/C10H10ClN9O2/c11-4-6(13)18-5(12)3(17-4)8(21)19-10(14)20-9(22)7-15-1-2-16-7/h1-2H,(H,15,16)(H4,12,13,18)(H3,14,19,20,21,22)
InChIKeyXUHBPBYYSVXSAR-UHFFFAOYSA-N
XLogP-1.10
TPSA191.05 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.70
LogP ≤ 5-1.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3,5-diamino-N-[amino-(1H-imidazole-2-carbonylamino)methylidene]-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

Related Compounds

N-[[(2-acetamidoacetyl)amino]-aminomethylidene]-3,5-diamino-6-chloropyrazine-2-carboxamide
CID 58089184
3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;methanesulfonic acid
CID 175022867
3,5-diamino-6-chloro-N-[N'-[6-[2-(1H-imidazol-2-ylamino)-2-oxoethoxy]hexyl]carbamimidoyl]pyrazine-2-carboxamide
CID 59714686
3,5-diamino-N-[N'-[2-[bis[2-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]ethyl]amino]ethyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 24739919
3,5-diamino-N-[N'-[3-[4-[5-amino-5-(3,5-diamino-6-chloropyrazine-2-carbonyl)iminopentoxy]phenoxy]propyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 24739590
CID 58385780
CID 58385780
3,5-diamino-6-chloro-N-[N'-(2-hydroxyethyl)carbamimidoyl]pyrazine-2-carboxamide;hydrobromide
CID 162336366
3,5-diamino-6-chloropyrazine-2-carboxamide
CID 604343
3,5-diamino-N-[N'-[12-(1-aminoethylideneamino)dodecyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide;dihydrochloride
CID 159356412
3,5-diamino-6-chloro-N-[N'-[4-[4-[2-(1H-imidazol-2-ylamino)-2-oxoethoxy]piperidin-1-yl]butyl]carbamimidoyl]pyrazine-2-carboxamide;dihydrochloride
CID 159734417
3,5-diamino-N-[amino(pyrazol-1-yl)methylidene]-6-chloropyrazine-2-carboxamide;3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-chloropyrazine-2-carboxamide;phenylmethanamine
CID 159372249
3,5-diamino-N-[N'-(9-aminononyl)carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 11575881

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[amino-(1H-imidazole-2-carbonylamino)methylidene]-6-chloropyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-[amino-(1H-imidazole-2-carbonylamino)methylidene]-6-chloropyrazine-2-carboxamide (CID 88807331) is 3,5-diamino-N-[amino-(1H-imidazole-2-carbonylamino)methylidene]-6-chloropyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-[amino-(1H-imidazole-2-carbonylamino)methylidene]-6-chloropyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-[amino-(1H-imidazole-2-carbonylamino)methylidene]-6-chloropyrazine-2-carboxamide is N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NC(=O)c1ncc[nH]1.
What is the InChIKey of 3,5-diamino-N-[amino-(1H-imidazole-2-carbonylamino)methylidene]-6-chloropyrazine-2-carboxamide?
The InChIKey is XUHBPBYYSVXSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN9O2/c11-4-6(13)18-5(12)3(17-4)8(21)19-10(14)20-9(22)7-15-1-2-16-7/h1-2H,(H,15,16)(H4,12,13,18)(H3,14,19,20,21,22).
What are the key properties of 3,5-diamino-N-[amino-(1H-imidazole-2-carbonylamino)methylidene]-6-chloropyrazine-2-carboxamide?
3,5-diamino-N-[amino-(1H-imidazole-2-carbonylamino)methylidene]-6-chloropyrazine-2-carboxamide has a molecular weight of 323.70 g/mol, XLogP of -1.10, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[amino-(1H-imidazole-2-carbonylamino)methylidene]-6-chloropyrazine-2-carboxamide is sourced from PubChem (CID 88807331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).