2-fluoro-3-methylimidazole-4-carbohydrazide

C5H7FN4O — CID 581346

IUPAC2-fluoro-3-methylimidazole-4-carbohydrazide
SMILESCn1c(C(=O)NN)cnc1F
InChIInChI=1S/C5H7FN4O/c1-10-3(4(11)9-7)2-8-5(10)6/h2H,7H2,1H3,(H,9,11)
InChIKeyDUYDULNICDTGTE-UHFFFAOYSA-N
MW158.14 g/mol
LogP-0.84
Rot. Bonds1

About 2-fluoro-3-methylimidazole-4-carbohydrazide

2-fluoro-3-methylimidazole-4-carbohydrazide (PubChem CID 581346) has the molecular formula C5H7FN4O and a molecular weight of 158.14 g/mol. Its IUPAC name is 2-fluoro-3-methylimidazole-4-carbohydrazide.

Molecular Properties

Compound Name2-fluoro-3-methylimidazole-4-carbohydrazide
PubChem CID581346
Molecular FormulaC5H7FN4O
Molecular Weight158.14 g/mol
Exact Mass158.06
IUPAC Name2-fluoro-3-methylimidazole-4-carbohydrazide
SMILESCn1c(C(=O)NN)cnc1F
InChIInChI=1S/C5H7FN4O/c1-10-3(4(11)9-7)2-8-5(10)6/h2H,7H2,1H3,(H,9,11)
InChIKeyDUYDULNICDTGTE-UHFFFAOYSA-N
XLogP-0.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.14
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-imidazole-5-carbohydrazide
CID 225355
1-Methyl-1H-imidazole-5-carbohydrazide
CID 468661
1-methyl-1H-imidazole-5-carboxamide
CID 2736884
3-Methyl-2-methylsulfanylimidazole-4-carbohydrazide
CID 2821732
1-methyl-1H-imidazole-4-carbohydrazide dihydrochloride
CID 137952209
2-tert-butyl-1H-imidazole-4-carbohydrazide
CID 3006276
2-isopropyl-1H-imidazole-4-carbohydrazide
CID 3006278
2-[(E)-aminodiazenyl]-3-methylimidazole-4-carboxamide
CID 21080159
2-(Aminodiazenyl)-3-methylimidazole-4-carboxamide
CID 54422836
N-formylaminoimidazol-4-carboxamide
CID 66860349
7-Methylimidazo[1,5-a]pyrazin-8(7h)-one
CID 83681137
(Dimethyl-triazeno)imidazole-4carboxamide
CID 135978000

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methylimidazole-4-carbohydrazide?
The IUPAC name of 2-fluoro-3-methylimidazole-4-carbohydrazide (CID 581346) is 2-fluoro-3-methylimidazole-4-carbohydrazide.
What is the SMILES notation for 2-fluoro-3-methylimidazole-4-carbohydrazide?
The canonical SMILES for 2-fluoro-3-methylimidazole-4-carbohydrazide is Cn1c(C(=O)NN)cnc1F.
What is the InChIKey of 2-fluoro-3-methylimidazole-4-carbohydrazide?
The InChIKey is DUYDULNICDTGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4O/c1-10-3(4(11)9-7)2-8-5(10)6/h2H,7H2,1H3,(H,9,11).
What are the key properties of 2-fluoro-3-methylimidazole-4-carbohydrazide?
2-fluoro-3-methylimidazole-4-carbohydrazide has a molecular weight of 158.14 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methylimidazole-4-carbohydrazide is sourced from PubChem (CID 581346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).