1H-indazol-4-amine;2-methylpropanoic acid

C11H15N3O2 — CID 159051220

IUPAC1H-indazol-4-amine;2-methylpropanoic acid
SMILESCC(C)C(=O)O.Nc1cccc2[nH]ncc12
InChIInChI=1S/C7H7N3.C4H8O2/c8-6-2-1-3-7-5(6)4-9-10-7;1-3(2)4(5)6/h1-4H,8H2,(H,9,10);3H,1-2H3,(H,5,6)
InChIKeyJXHFQHOOVZCKJV-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.87
Rot. Bonds1

About 1H-indazol-4-amine;2-methylpropanoic acid

1H-indazol-4-amine;2-methylpropanoic acid (PubChem CID 159051220) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1H-indazol-4-amine;2-methylpropanoic acid.

Molecular Properties

Compound Name1H-indazol-4-amine;2-methylpropanoic acid
PubChem CID159051220
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1H-indazol-4-amine;2-methylpropanoic acid
SMILESCC(C)C(=O)O.Nc1cccc2[nH]ncc12
InChIInChI=1S/C7H7N3.C4H8O2/c8-6-2-1-3-7-5(6)4-9-10-7;1-3(2)4(5)6/h1-4H,8H2,(H,9,10);3H,1-2H3,(H,5,6)
InChIKeyJXHFQHOOVZCKJV-UHFFFAOYSA-N
XLogP1.87
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-4-amine;2-methylpropanoic acid?
The IUPAC name of 1H-indazol-4-amine;2-methylpropanoic acid (CID 159051220) is 1H-indazol-4-amine;2-methylpropanoic acid.
What is the SMILES notation for 1H-indazol-4-amine;2-methylpropanoic acid?
The canonical SMILES for 1H-indazol-4-amine;2-methylpropanoic acid is CC(C)C(=O)O.Nc1cccc2[nH]ncc12.
What is the InChIKey of 1H-indazol-4-amine;2-methylpropanoic acid?
The InChIKey is JXHFQHOOVZCKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.C4H8O2/c8-6-2-1-3-7-5(6)4-9-10-7;1-3(2)4(5)6/h1-4H,8H2,(H,9,10);3H,1-2H3,(H,5,6).
What are the key properties of 1H-indazol-4-amine;2-methylpropanoic acid?
1H-indazol-4-amine;2-methylpropanoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.87, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-4-amine;2-methylpropanoic acid is sourced from PubChem (CID 159051220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).