2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine

C10H17N3 — CID 75481911

IUPAC2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine
SMILESCC(C)n1cc2c(n1)C(N)CCC2
InChIInChI=1S/C10H17N3/c1-7(2)13-6-8-4-3-5-9(11)10(8)12-13/h6-7,9H,3-5,11H2,1-2H3
InChIKeyGXNCFAWCECSKLK-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.80
Rot. Bonds1

About 2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine

2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine (PubChem CID 75481911) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine.

Molecular Properties

Compound Name2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine
PubChem CID75481911
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine
SMILESCC(C)n1cc2c(n1)C(N)CCC2
InChIInChI=1S/C10H17N3/c1-7(2)13-6-8-4-3-5-9(11)10(8)12-13/h6-7,9H,3-5,11H2,1-2H3
InChIKeyGXNCFAWCECSKLK-UHFFFAOYSA-N
XLogP1.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine?
The IUPAC name of 2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine (CID 75481911) is 2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine.
What is the SMILES notation for 2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine?
The canonical SMILES for 2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine is CC(C)n1cc2c(n1)C(N)CCC2.
What is the InChIKey of 2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine?
The InChIKey is GXNCFAWCECSKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)13-6-8-4-3-5-9(11)10(8)12-13/h6-7,9H,3-5,11H2,1-2H3.
What are the key properties of 2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine?
2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine has a molecular weight of 179.27 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine is sourced from PubChem (CID 75481911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).