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

C10H19Cl2N3 — CID 54594814

IUPAC1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-amine;dihydrochloride
SMILESCC(C)n1ncc2c1CC(N)CC2.Cl.Cl
InChIInChI=1S/C10H17N3.2ClH/c1-7(2)13-10-5-9(11)4-3-8(10)6-12-13;;/h6-7,9H,3-5,11H2,1-2H3;2*1H
InChIKeyYWHYDYUPTVPVPL-UHFFFAOYSA-N
MW252.19 g/mol
LogP2.12
Rot. Bonds1

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

1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-amine;dihydrochloride (PubChem CID 54594814) has the molecular formula C10H19Cl2N3 and a molecular weight of 252.19 g/mol. Its IUPAC name is 1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-amine;dihydrochloride.

Molecular Properties

Compound Name1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-amine;dihydrochloride
PubChem CID54594814
Molecular FormulaC10H19Cl2N3
Molecular Weight252.19 g/mol
Exact Mass251.10
IUPAC Name1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-amine;dihydrochloride
SMILESCC(C)n1ncc2c1CC(N)CC2.Cl.Cl
InChIInChI=1S/C10H17N3.2ClH/c1-7(2)13-10-5-9(11)4-3-8(10)6-12-13;;/h6-7,9H,3-5,11H2,1-2H3;2*1H
InChIKeyYWHYDYUPTVPVPL-UHFFFAOYSA-N
XLogP2.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 52.12
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-6-amine;dihydrochloride?
The IUPAC name of 1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-amine;dihydrochloride (CID 54594814) is 1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-amine;dihydrochloride.
What is the SMILES notation for 1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-amine;dihydrochloride?
The canonical SMILES for 1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-amine;dihydrochloride is CC(C)n1ncc2c1CC(N)CC2.Cl.Cl.
What is the InChIKey of 1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-amine;dihydrochloride?
The InChIKey is YWHYDYUPTVPVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.2ClH/c1-7(2)13-10-5-9(11)4-3-8(10)6-12-13;;/h6-7,9H,3-5,11H2,1-2H3;2*1H.
What are the key properties of 1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-amine;dihydrochloride?
1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-amine;dihydrochloride has a molecular weight of 252.19 g/mol, XLogP of 2.12, 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-6-amine;dihydrochloride is sourced from PubChem (CID 54594814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).