1-cyclobutyl-4,5,6,7-tetrahydroindazol-5-amine

C11H17N3 — CID 171921881

IUPAC1-cyclobutyl-4,5,6,7-tetrahydroindazol-5-amine
SMILESNC1CCc2c(cnn2C2CCC2)C1
InChIInChI=1S/C11H17N3/c12-9-4-5-11-8(6-9)7-13-14(11)10-2-1-3-10/h7,9-10H,1-6,12H2
InChIKeyABWAWGZYVRSPOP-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.42
Rot. Bonds1

About 1-cyclobutyl-4,5,6,7-tetrahydroindazol-5-amine

1-cyclobutyl-4,5,6,7-tetrahydroindazol-5-amine (PubChem CID 171921881) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-cyclobutyl-4,5,6,7-tetrahydroindazol-5-amine.

Molecular Properties

Compound Name1-cyclobutyl-4,5,6,7-tetrahydroindazol-5-amine
PubChem CID171921881
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-cyclobutyl-4,5,6,7-tetrahydroindazol-5-amine
SMILESNC1CCc2c(cnn2C2CCC2)C1
InChIInChI=1S/C11H17N3/c12-9-4-5-11-8(6-9)7-13-14(11)10-2-1-3-10/h7,9-10H,1-6,12H2
InChIKeyABWAWGZYVRSPOP-UHFFFAOYSA-N
XLogP1.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4,5,6,7-tetrahydroindazol-5-amine?
The IUPAC name of 1-cyclobutyl-4,5,6,7-tetrahydroindazol-5-amine (CID 171921881) is 1-cyclobutyl-4,5,6,7-tetrahydroindazol-5-amine.
What is the SMILES notation for 1-cyclobutyl-4,5,6,7-tetrahydroindazol-5-amine?
The canonical SMILES for 1-cyclobutyl-4,5,6,7-tetrahydroindazol-5-amine is NC1CCc2c(cnn2C2CCC2)C1.
What is the InChIKey of 1-cyclobutyl-4,5,6,7-tetrahydroindazol-5-amine?
The InChIKey is ABWAWGZYVRSPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-9-4-5-11-8(6-9)7-13-14(11)10-2-1-3-10/h7,9-10H,1-6,12H2.
What are the key properties of 1-cyclobutyl-4,5,6,7-tetrahydroindazol-5-amine?
1-cyclobutyl-4,5,6,7-tetrahydroindazol-5-amine has a molecular weight of 191.28 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4,5,6,7-tetrahydroindazol-5-amine is sourced from PubChem (CID 171921881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).