2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carbohydrazide

C10H11N5O4 — CID 63578825

IUPAC2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carbohydrazide
SMILESCc1oc(Cn2cnc([N+](=O)[O-])c2)cc1C(=O)NN
InChIInChI=1S/C10H11N5O4/c1-6-8(10(16)13-11)2-7(19-6)3-14-4-9(12-5-14)15(17)18/h2,4-5H,3,11H2,1H3,(H,13,16)
InChIKeyKSTIFAQTVCOYES-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.34
Rot. Bonds4

About 2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carbohydrazide

2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63578825) has the molecular formula C10H11N5O4 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63578825
Molecular FormulaC10H11N5O4
Molecular Weight265.23 g/mol
Exact Mass265.08
IUPAC Name2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carbohydrazide
SMILESCc1oc(Cn2cnc([N+](=O)[O-])c2)cc1C(=O)NN
InChIInChI=1S/C10H11N5O4/c1-6-8(10(16)13-11)2-7(19-6)3-14-4-9(12-5-14)15(17)18/h2,4-5H,3,11H2,1H3,(H,13,16)
InChIKeyKSTIFAQTVCOYES-UHFFFAOYSA-N
XLogP0.34
TPSA129.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carbohydrazide (CID 63578825) is 2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carbohydrazide is Cc1oc(Cn2cnc([N+](=O)[O-])c2)cc1C(=O)NN.
What is the InChIKey of 2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is KSTIFAQTVCOYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4/c1-6-8(10(16)13-11)2-7(19-6)3-14-4-9(12-5-14)15(17)18/h2,4-5H,3,11H2,1H3,(H,13,16).
What are the key properties of 2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carbohydrazide?
2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 265.23 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-nitroimidazol-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63578825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).