CID 58385786

C10H12ClN7O2 — CID 58385786

IUPAC—
SMILES[CH]Nc1nc(N)c(C(=O)/N=C(\N)NC(=O)CC)nc1Cl
InChIInChI=1S/C10H12ClN7O2/c1-3-4(19)15-10(13)18-9(20)5-7(12)17-8(14-2)6(11)16-5/h2H,3H2,1H3,(H3,12,14,17)(H3,13,15,18,19,20)
InChIKeyGTOMUTMOPCLGLV-UHFFFAOYSA-N
MW297.71 g/mol
LogP-0.23
Rot. Bonds3

About CID 58385786

CID 58385786 (PubChem CID 58385786) has the molecular formula C10H12ClN7O2 and a molecular weight of 297.71 g/mol.

Molecular Properties

Compound NameCID 58385786
PubChem CID58385786
Molecular FormulaC10H12ClN7O2
Molecular Weight297.71 g/mol
Exact Mass297.07
IUPAC Name—
SMILES[CH]Nc1nc(N)c(C(=O)/N=C(\N)NC(=O)CC)nc1Cl
InChIInChI=1S/C10H12ClN7O2/c1-3-4(19)15-10(13)18-9(20)5-7(12)17-8(14-2)6(11)16-5/h2H,3H2,1H3,(H3,12,14,17)(H3,13,15,18,19,20)
InChIKeyGTOMUTMOPCLGLV-UHFFFAOYSA-N
XLogP-0.23
TPSA148.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide
CID 88911387
CID 58385780
CID 58385780
N-[[(2-acetamidoacetyl)amino]-aminomethylidene]-3,5-diamino-6-chloropyrazine-2-carboxamide
CID 58089184
3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide
CID 130008687
3-[[6-amino-3-chloro-5-(diaminomethylidenecarbamoyl)pyrazin-2-yl]amino]propanoic acid;hydrochloride
CID 57396266
3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide;ethane
CID 153371782
3-amino-6-chloro-N-(diaminomethylidene)-5-(2H-tetrazol-5-ylmethylamino)pyrazine-2-carboxamide
CID 57401403
3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;methanesulfonic acid
CID 175022867
3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 57394421
3,5-diamino-N-[amino-(1H-imidazole-2-carbonylamino)methylidene]-6-chloropyrazine-2-carboxamide
CID 88807331
N-[(E)-N'-carbamothioylcarbamimidoyl]propanamide
CID 131854352
3-amino-6-chloro-N-(diaminomethylidene)-5-[2-(2H-tetrazol-5-yl)ethylamino]pyrazine-2-carboxamide;hydrochloride
CID 57392706

Frequently Asked Questions

What is the IUPAC name of CID 58385786?
The IUPAC name of CID 58385786 (CID 58385786) is not available.
What is the SMILES notation for CID 58385786?
The canonical SMILES for CID 58385786 is [CH]Nc1nc(N)c(C(=O)/N=C(\N)NC(=O)CC)nc1Cl.
What is the InChIKey of CID 58385786?
The InChIKey is GTOMUTMOPCLGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN7O2/c1-3-4(19)15-10(13)18-9(20)5-7(12)17-8(14-2)6(11)16-5/h2H,3H2,1H3,(H3,12,14,17)(H3,13,15,18,19,20).
What are the key properties of CID 58385786?
CID 58385786 has a molecular weight of 297.71 g/mol, XLogP of -0.23, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58385786 is sourced from PubChem (CID 58385786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).