2-tert-butyl-4,5,6,7-tetrahydroindazol-3-amine

C11H19N3 — CID 65348605

IUPAC2-tert-butyl-4,5,6,7-tetrahydroindazol-3-amine
SMILESCC(C)(C)n1nc2c(c1N)CCCC2
InChIInChI=1S/C11H19N3/c1-11(2,3)14-10(12)8-6-4-5-7-9(8)13-14/h4-7,12H2,1-3H3
InChIKeyQDKPHIPOEPLGFW-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.10
Rot. Bonds

About 2-tert-butyl-4,5,6,7-tetrahydroindazol-3-amine

2-tert-butyl-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 65348605) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-tert-butyl-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name2-tert-butyl-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID65348605
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-tert-butyl-4,5,6,7-tetrahydroindazol-3-amine
SMILESCC(C)(C)n1nc2c(c1N)CCCC2
InChIInChI=1S/C11H19N3/c1-11(2,3)14-10(12)8-6-4-5-7-9(8)13-14/h4-7,12H2,1-3H3
InChIKeyQDKPHIPOEPLGFW-UHFFFAOYSA-N
XLogP2.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrydamine
CID 28446
Pyrazole, 5-amino-3-ethyl-1-isopropyl-4-methyl-
CID 210142
2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-amine
CID 52903608
1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 71668509
5,5-difluoro-2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-amine
CID 165463441
3,4-Diethyl-1-methyl-1H-pyrazol-5-amine
CID 28064035
1-(3-amino-5,5-difluoro-6,7-dihydro-4H-indazol-2-yl)ethanone
CID 132181136
1-Tert-butyl-3-cyclopentyl-4-fluoropyrazol-5-amine
CID 164880254
1-(tert-butyl)-3-(3,3-difluorocyclobutyl)-4-methyl-1H-pyrazol-5-amine
CID 169169557
5-(3,3-Difluorocyclobutyl)-4-methyl-2-(1-methylcyclopropyl)pyrazol-3-amine
CID 178937039
N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 23619441
5-Fluoro-1-methyl-4,5,6,7-tetrahydroindazol-3-amine
CID 105434097

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 2-tert-butyl-4,5,6,7-tetrahydroindazol-3-amine (CID 65348605) is 2-tert-butyl-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 2-tert-butyl-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 2-tert-butyl-4,5,6,7-tetrahydroindazol-3-amine is CC(C)(C)n1nc2c(c1N)CCCC2.
What is the InChIKey of 2-tert-butyl-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is QDKPHIPOEPLGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2,3)14-10(12)8-6-4-5-7-9(8)13-14/h4-7,12H2,1-3H3.
What are the key properties of 2-tert-butyl-4,5,6,7-tetrahydroindazol-3-amine?
2-tert-butyl-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 193.29 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 65348605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).