3-methoxy-2-(6-nitroindazol-1-yl)propanehydrazide

C11H13N5O4 — CID 103229843

IUPAC3-methoxy-2-(6-nitroindazol-1-yl)propanehydrazide
SMILESCOCC(C(=O)NN)n1ncc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C11H13N5O4/c1-20-6-10(11(17)14-12)15-9-4-8(16(18)19)3-2-7(9)5-13-15/h2-5,10H,6,12H2,1H3,(H,14,17)
InChIKeyUYAZYSAKPKCUPB-UHFFFAOYSA-N
MW279.26 g/mol
LogP0.12
Rot. Bonds5

About 3-methoxy-2-(6-nitroindazol-1-yl)propanehydrazide

3-methoxy-2-(6-nitroindazol-1-yl)propanehydrazide (PubChem CID 103229843) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is 3-methoxy-2-(6-nitroindazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-methoxy-2-(6-nitroindazol-1-yl)propanehydrazide
PubChem CID103229843
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name3-methoxy-2-(6-nitroindazol-1-yl)propanehydrazide
SMILESCOCC(C(=O)NN)n1ncc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C11H13N5O4/c1-20-6-10(11(17)14-12)15-9-4-8(16(18)19)3-2-7(9)5-13-15/h2-5,10H,6,12H2,1H3,(H,14,17)
InChIKeyUYAZYSAKPKCUPB-UHFFFAOYSA-N
XLogP0.12
TPSA125.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.12
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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Related Compounds

ethyl 2-fluoro-2-(6-nitroindazol-1-yl)acetate
CID 81296546
1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol
CID 63930886
methane;methyl 6-nitroindazole-1-carboxylate
CID 174489049
4-(6-nitroindazol-1-yl)pentanoic acid
CID 62215418
3-methoxy-2-(2-methyl-5-nitrophenoxy)propanehydrazide
CID 103229305
(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
CID 106932950
3-methoxy-2-(4-nitroimidazol-1-yl)propanehydrazide
CID 103229845
2-(2-chloro-4-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229182
2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229297
methane;methyl 5-nitroindazole-1-carboxylate
CID 175242538
1-(6-nitroindazol-1-yl)butan-2-ol
CID 60884485
1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol
CID 112560077

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(6-nitroindazol-1-yl)propanehydrazide?
The IUPAC name of 3-methoxy-2-(6-nitroindazol-1-yl)propanehydrazide (CID 103229843) is 3-methoxy-2-(6-nitroindazol-1-yl)propanehydrazide.
What is the SMILES notation for 3-methoxy-2-(6-nitroindazol-1-yl)propanehydrazide?
The canonical SMILES for 3-methoxy-2-(6-nitroindazol-1-yl)propanehydrazide is COCC(C(=O)NN)n1ncc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 3-methoxy-2-(6-nitroindazol-1-yl)propanehydrazide?
The InChIKey is UYAZYSAKPKCUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4/c1-20-6-10(11(17)14-12)15-9-4-8(16(18)19)3-2-7(9)5-13-15/h2-5,10H,6,12H2,1H3,(H,14,17).
What are the key properties of 3-methoxy-2-(6-nitroindazol-1-yl)propanehydrazide?
3-methoxy-2-(6-nitroindazol-1-yl)propanehydrazide has a molecular weight of 279.26 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(6-nitroindazol-1-yl)propanehydrazide is sourced from PubChem (CID 103229843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).