N-(diaminomethylidene)-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide

C10H12N6O — CID 83031637

IUPACN-(diaminomethylidene)-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C10H12N6O/c11-9(12)15-10(13)16-5-8(17)14-6-3-1-2-4-7(6)16/h1-4H,5H2,(H,14,17)(H5,11,12,13,15)
InChIKeyZANSUJVRBRPUTR-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.35
Rot. Bonds

About N-(diaminomethylidene)-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide

N-(diaminomethylidene)-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide (PubChem CID 83031637) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is N-(diaminomethylidene)-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide
PubChem CID83031637
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC NameN-(diaminomethylidene)-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C10H12N6O/c11-9(12)15-10(13)16-5-8(17)14-6-3-1-2-4-7(6)16/h1-4H,5H2,(H,14,17)(H5,11,12,13,15)
InChIKeyZANSUJVRBRPUTR-UHFFFAOYSA-N
XLogP-0.35
TPSA120.59 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethanimidoyl-1,3-dihydroquinoxalin-2-one
CID 63172914
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetohydrazide
CID 43164015
4-(5-amino-1,3,4-thiadiazole-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 80617607
4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one
CID 4749914
4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 80587760
4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 30094711
2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide
CID 60734018
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]urea
CID 95040569
2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate
CID 79345427
3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide
CID 55028632
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide (CID 83031637) is N-(diaminomethylidene)-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CC(=O)Nc2ccccc21.
What is the InChIKey of N-(diaminomethylidene)-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide?
The InChIKey is ZANSUJVRBRPUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c11-9(12)15-10(13)16-5-8(17)14-6-3-1-2-4-7(6)16/h1-4H,5H2,(H,14,17)(H5,11,12,13,15).
What are the key properties of N-(diaminomethylidene)-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide?
N-(diaminomethylidene)-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide has a molecular weight of 232.25 g/mol, XLogP of -0.35, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide is sourced from PubChem (CID 83031637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).