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

C10H17N3O — CID 65356487

IUPAC2-[4-(methylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCNC1CCCc2c1cnn2CCO
InChIInChI=1S/C10H17N3O/c1-11-9-3-2-4-10-8(9)7-12-13(10)5-6-14/h7,9,11,14H,2-6H2,1H3
InChIKeyGXAAKZOJQULRJT-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.47
Rot. Bonds3

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

2-[4-(methylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 65356487) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-[4-(methylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(methylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID65356487
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-[4-(methylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCNC1CCCc2c1cnn2CCO
InChIInChI=1S/C10H17N3O/c1-11-9-3-2-4-10-8(9)7-12-13(10)5-6-14/h7,9,11,14H,2-6H2,1H3
InChIKeyGXAAKZOJQULRJT-UHFFFAOYSA-N
XLogP0.47
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-(methylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 65356487) is 2-[4-(methylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(methylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(methylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is CNC1CCCc2c1cnn2CCO.
What is the InChIKey of 2-[4-(methylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is GXAAKZOJQULRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-11-9-3-2-4-10-8(9)7-12-13(10)5-6-14/h7,9,11,14H,2-6H2,1H3.
What are the key properties of 2-[4-(methylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-(methylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 195.27 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 65356487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).