1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine

C10H17N3 — CID 83862378

IUPAC1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine
SMILESCC(C)n1nc(N)c2c1CCCC2
InChIInChI=1S/C10H17N3/c1-7(2)13-9-6-4-3-5-8(9)10(11)12-13/h7H,3-6H2,1-2H3,(H2,11,12)
InChIKeyUXLLOIHZWVQDCC-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.92
Rot. Bonds1

About 1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine

1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 83862378) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID83862378
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine
SMILESCC(C)n1nc(N)c2c1CCCC2
InChIInChI=1S/C10H17N3/c1-7(2)13-9-6-4-3-5-8(9)10(11)12-13/h7H,3-6H2,1-2H3,(H2,11,12)
InChIKeyUXLLOIHZWVQDCC-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine (CID 83862378) is 1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine is CC(C)n1nc(N)c2c1CCCC2.
What is the InChIKey of 1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is UXLLOIHZWVQDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)13-9-6-4-3-5-8(9)10(11)12-13/h7H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of 1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine?
1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 179.27 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 83862378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).