2-butylindazol-6-amine

C11H15N3 — CID 165468380

IUPAC2-butylindazol-6-amine
SMILESCCCCn1cc2ccc(N)cc2n1
InChIInChI=1S/C11H15N3/c1-2-3-6-14-8-9-4-5-10(12)7-11(9)13-14/h4-5,7-8H,2-3,6,12H2,1H3
InChIKeyQVQCXIVDDUZOCW-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.42
Rot. Bonds3

About 2-butylindazol-6-amine

2-butylindazol-6-amine (PubChem CID 165468380) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-butylindazol-6-amine.

Molecular Properties

Compound Name2-butylindazol-6-amine
PubChem CID165468380
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-butylindazol-6-amine
SMILESCCCCn1cc2ccc(N)cc2n1
InChIInChI=1S/C11H15N3/c1-2-3-6-14-8-9-4-5-10(12)7-11(9)13-14/h4-5,7-8H,2-3,6,12H2,1H3
InChIKeyQVQCXIVDDUZOCW-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
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 2-butylindazol-6-amine?
The IUPAC name of 2-butylindazol-6-amine (CID 165468380) is 2-butylindazol-6-amine.
What is the SMILES notation for 2-butylindazol-6-amine?
The canonical SMILES for 2-butylindazol-6-amine is CCCCn1cc2ccc(N)cc2n1.
What is the InChIKey of 2-butylindazol-6-amine?
The InChIKey is QVQCXIVDDUZOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-3-6-14-8-9-4-5-10(12)7-11(9)13-14/h4-5,7-8H,2-3,6,12H2,1H3.
What are the key properties of 2-butylindazol-6-amine?
2-butylindazol-6-amine has a molecular weight of 189.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylindazol-6-amine is sourced from PubChem (CID 165468380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).