2-[(4S)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethanol

C9H15N3O — CID 39870535

IUPAC2-[(4S)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESN[C@H]1CCCc2c1cnn2CCO
InChIInChI=1S/C9H15N3O/c10-8-2-1-3-9-7(8)6-11-12(9)4-5-13/h6,8,13H,1-5,10H2/t8-/m0/s1
InChIKeyHCBVNRIFWSZMKU-QMMMGPOBSA-N
MW181.24 g/mol
LogP0.21
Rot. Bonds2

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

2-[(4S)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 39870535) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[(4S)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[(4S)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID39870535
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[(4S)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESN[C@H]1CCCc2c1cnn2CCO
InChIInChI=1S/C9H15N3O/c10-8-2-1-3-9-7(8)6-11-12(9)4-5-13/h6,8,13H,1-5,10H2/t8-/m0/s1
InChIKeyHCBVNRIFWSZMKU-QMMMGPOBSA-N
XLogP0.21
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-indazol-7-amine
CID 75480822
2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetic acid
CID 3235997
2-(4-amino-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethan-1-ol
CID 43810753
1-ethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 65356404
2-(propan-2-yl)-4,5,6,7-tetrahydro-2H-indazol-6-amine
CID 71758750
4,5,6,7-Tetrahydro-1-methyl-1H-indazol-4-amine
CID 43243410
N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 43254490
2-Methyl-4,5,6,7-tetrahydro-2H-indazol-5-amine
CID 45121281
2-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine
CID 69037234
1-ethyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 84717099
1-[2-(Cyclohexen-1-yl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 53506177
1-[1-(2-Hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 53507923

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[(4S)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 39870535) is 2-[(4S)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[(4S)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[(4S)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethanol is N[C@H]1CCCc2c1cnn2CCO.
What is the InChIKey of 2-[(4S)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is HCBVNRIFWSZMKU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15N3O/c10-8-2-1-3-9-7(8)6-11-12(9)4-5-13/h6,8,13H,1-5,10H2/t8-/m0/s1.
What are the key properties of 2-[(4S)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[(4S)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 181.24 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-amino-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 39870535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).