2-[4-(propan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol

C12H21N3O — CID 43752553

IUPAC2-[4-(propan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCC(C)NC1CCCc2c1cnn2CCO
InChIInChI=1S/C12H21N3O/c1-9(2)14-11-4-3-5-12-10(11)8-13-15(12)6-7-16/h8-9,11,14,16H,3-7H2,1-2H3
InChIKeyMESIHAKUQZAENV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.25
Rot. Bonds4

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

2-[4-(propan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 43752553) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[4-(propan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(propan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID43752553
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[4-(propan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCC(C)NC1CCCc2c1cnn2CCO
InChIInChI=1S/C12H21N3O/c1-9(2)14-11-4-3-5-12-10(11)8-13-15(12)6-7-16/h8-9,11,14,16H,3-7H2,1-2H3
InChIKeyMESIHAKUQZAENV-UHFFFAOYSA-N
XLogP1.25
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(propan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-(propan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 43752553) is 2-[4-(propan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(propan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(propan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is CC(C)NC1CCCc2c1cnn2CCO.
What is the InChIKey of 2-[4-(propan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is MESIHAKUQZAENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)14-11-4-3-5-12-10(11)8-13-15(12)6-7-16/h8-9,11,14,16H,3-7H2,1-2H3.
What are the key properties of 2-[4-(propan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-(propan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(propan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 43752553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).