amino(diaminomethylidene)azanium;pyrazine-2-carboxylate

C6H10N6O2 — CID 155803285

IUPACamino(diaminomethylidene)azanium;pyrazine-2-carboxylate
SMILESN[NH+]=C(N)N.O=C([O-])c1cnccn1
InChIInChI=1S/C5H4N2O2.CH6N4/c8-5(9)4-3-6-1-2-7-4;2-1(3)5-4/h1-3H,(H,8,9);4H2,(H4,2,3,5)
InChIKeyAKPKBLWFUYUOHC-UHFFFAOYSA-N
MW198.19 g/mol
LogP-4.95
Rot. Bonds1

About amino(diaminomethylidene)azanium;pyrazine-2-carboxylate

amino(diaminomethylidene)azanium;pyrazine-2-carboxylate (PubChem CID 155803285) has the molecular formula C6H10N6O2 and a molecular weight of 198.19 g/mol. Its IUPAC name is amino(diaminomethylidene)azanium;pyrazine-2-carboxylate.

Molecular Properties

Compound Nameamino(diaminomethylidene)azanium;pyrazine-2-carboxylate
PubChem CID155803285
Molecular FormulaC6H10N6O2
Molecular Weight198.19 g/mol
Exact Mass198.09
IUPAC Nameamino(diaminomethylidene)azanium;pyrazine-2-carboxylate
SMILESN[NH+]=C(N)N.O=C([O-])c1cnccn1
InChIInChI=1S/C5H4N2O2.CH6N4/c8-5(9)4-3-6-1-2-7-4;2-1(3)5-4/h1-3H,(H,8,9);4H2,(H4,2,3,5)
InChIKeyAKPKBLWFUYUOHC-UHFFFAOYSA-N
XLogP-4.95
TPSA157.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 5-4.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze amino(diaminomethylidene)azanium;pyrazine-2-carboxylate 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

tetrakis(pyrazine-2-carboxylic acid);zirconium
CID 172643699
platinum(2+);bis(pyrazine-2-carboxylic acid);dichloride
CID 54591628
potassium;hydride;pyrazine-2-carboxylic acid
CID 174693780
pyrazine-2-carbothioic S-acid
CID 87249006
amino pyrazine-2-carboxylate
CID 67878279
N-deuteriopyrazine-2-carboxamide
CID 175943999
N-(2-amino-2-oxoethyl)pyrazine-2-carboxamide
CID 14101204
bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139203790
2-amino-1-pyrazin-2-ylpropan-1-one
CID 82594837
N'-tert-butylpyrazine-2-carboximidamide
CID 63181941
2-methyl-1-pyrazin-2-ylpropan-1-one
CID 538058
silyl pyrazine-2-carboxylate
CID 137330489

Frequently Asked Questions

What is the IUPAC name of amino(diaminomethylidene)azanium;pyrazine-2-carboxylate?
The IUPAC name of amino(diaminomethylidene)azanium;pyrazine-2-carboxylate (CID 155803285) is amino(diaminomethylidene)azanium;pyrazine-2-carboxylate.
What is the SMILES notation for amino(diaminomethylidene)azanium;pyrazine-2-carboxylate?
The canonical SMILES for amino(diaminomethylidene)azanium;pyrazine-2-carboxylate is N[NH+]=C(N)N.O=C([O-])c1cnccn1.
What is the InChIKey of amino(diaminomethylidene)azanium;pyrazine-2-carboxylate?
The InChIKey is AKPKBLWFUYUOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2.CH6N4/c8-5(9)4-3-6-1-2-7-4;2-1(3)5-4/h1-3H,(H,8,9);4H2,(H4,2,3,5).
What are the key properties of amino(diaminomethylidene)azanium;pyrazine-2-carboxylate?
amino(diaminomethylidene)azanium;pyrazine-2-carboxylate has a molecular weight of 198.19 g/mol, XLogP of -4.95, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino(diaminomethylidene)azanium;pyrazine-2-carboxylate is sourced from PubChem (CID 155803285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).