2-indazol-1-yl-3-methylbutanehydrazide

C12H16N4O — CID 63577978

IUPAC2-indazol-1-yl-3-methylbutanehydrazide
SMILESCC(C)C(C(=O)NN)n1ncc2ccccc21
InChIInChI=1S/C12H16N4O/c1-8(2)11(12(17)15-13)16-10-6-4-3-5-9(10)7-14-16/h3-8,11H,13H2,1-2H3,(H,15,17)
InChIKeyIXSIAUCXIICWIR-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.22
Rot. Bonds3

About 2-indazol-1-yl-3-methylbutanehydrazide

2-indazol-1-yl-3-methylbutanehydrazide (PubChem CID 63577978) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-indazol-1-yl-3-methylbutanehydrazide.

Molecular Properties

Compound Name2-indazol-1-yl-3-methylbutanehydrazide
PubChem CID63577978
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-indazol-1-yl-3-methylbutanehydrazide
SMILESCC(C)C(C(=O)NN)n1ncc2ccccc21
InChIInChI=1S/C12H16N4O/c1-8(2)11(12(17)15-13)16-10-6-4-3-5-9(10)7-14-16/h3-8,11H,13H2,1-2H3,(H,15,17)
InChIKeyIXSIAUCXIICWIR-UHFFFAOYSA-N
XLogP1.22
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.22
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

3-amino-2-indazol-1-ylpropanoic acid
CID 64694825
indazol-1-yl N-aminocarbamate
CID 174609066
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-methylbutanehydrazide
CID 63577839
2-indazol-1-yl-3-methyl-N-propan-2-ylbutan-1-amine
CID 62449392
4-(1-indazol-1-ylethyl)phenol
CID 175418452
2-indazol-1-yl-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 122175815
2-[amino(indazol-1-yl)methyl]benzoic acid
CID 54451882
N-(2-indazol-1-yl-3-methylbutyl)cyclopropanamine
CID 62446590
N-[(4-fluorophenyl)methyl]-2-indazol-1-ylbutanamide
CID 122176580
1-propan-2-yloxyindazole
CID 141134934
N-ethyl-2-indazol-1-yl-2-phenylethanamine
CID 62448087
1-(2-bromophenyl)-1-indazol-1-ylpropan-2-amine
CID 62142252

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-3-methylbutanehydrazide?
The IUPAC name of 2-indazol-1-yl-3-methylbutanehydrazide (CID 63577978) is 2-indazol-1-yl-3-methylbutanehydrazide.
What is the SMILES notation for 2-indazol-1-yl-3-methylbutanehydrazide?
The canonical SMILES for 2-indazol-1-yl-3-methylbutanehydrazide is CC(C)C(C(=O)NN)n1ncc2ccccc21.
What is the InChIKey of 2-indazol-1-yl-3-methylbutanehydrazide?
The InChIKey is IXSIAUCXIICWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8(2)11(12(17)15-13)16-10-6-4-3-5-9(10)7-14-16/h3-8,11H,13H2,1-2H3,(H,15,17).
What are the key properties of 2-indazol-1-yl-3-methylbutanehydrazide?
2-indazol-1-yl-3-methylbutanehydrazide has a molecular weight of 232.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-3-methylbutanehydrazide is sourced from PubChem (CID 63577978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).