2-[4-(tert-butylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol

C13H23N3O — CID 129255730

IUPAC2-[4-(tert-butylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCC(C)(C)NC1CCCc2c1cnn2CCO
InChIInChI=1S/C13H23N3O/c1-13(2,3)15-11-5-4-6-12-10(11)9-14-16(12)7-8-17/h9,11,15,17H,4-8H2,1-3H3
InChIKeyKASDBBRQTCVWES-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.64
Rot. Bonds3

About 2-[4-(tert-butylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol

2-[4-(tert-butylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 129255730) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[4-(tert-butylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(tert-butylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID129255730
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[4-(tert-butylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCC(C)(C)NC1CCCc2c1cnn2CCO
InChIInChI=1S/C13H23N3O/c1-13(2,3)15-11-5-4-6-12-10(11)9-14-16(12)7-8-17/h9,11,15,17H,4-8H2,1-3H3
InChIKeyKASDBBRQTCVWES-UHFFFAOYSA-N
XLogP1.64
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(tert-butylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-(tert-butylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 129255730) is 2-[4-(tert-butylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(tert-butylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(tert-butylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is CC(C)(C)NC1CCCc2c1cnn2CCO.
What is the InChIKey of 2-[4-(tert-butylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is KASDBBRQTCVWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,3)15-11-5-4-6-12-10(11)9-14-16(12)7-8-17/h9,11,15,17H,4-8H2,1-3H3.
What are the key properties of 2-[4-(tert-butylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-(tert-butylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 237.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tert-butylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 129255730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).