2-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanol

C10H17N3O — CID 84666344

IUPAC2-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanol
SMILESCn1nc(C(O)CN)c2c1CCCC2
InChIInChI=1S/C10H17N3O/c1-13-8-5-3-2-4-7(8)10(12-13)9(14)6-11/h9,14H,2-6,11H2,1H3
InChIKeyBYHYGUIQUQZDEL-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.29
Rot. Bonds2

About 2-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanol

2-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanol (PubChem CID 84666344) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanol
PubChem CID84666344
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanol
SMILESCn1nc(C(O)CN)c2c1CCCC2
InChIInChI=1S/C10H17N3O/c1-13-8-5-3-2-4-7(8)10(12-13)9(14)6-11/h9,14H,2-6,11H2,1H3
InChIKeyBYHYGUIQUQZDEL-UHFFFAOYSA-N
XLogP0.29
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanol?
The IUPAC name of 2-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanol (CID 84666344) is 2-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanol is Cn1nc(C(O)CN)c2c1CCCC2.
What is the InChIKey of 2-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanol?
The InChIKey is BYHYGUIQUQZDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-8-5-3-2-4-7(8)10(12-13)9(14)6-11/h9,14H,2-6,11H2,1H3.
What are the key properties of 2-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanol?
2-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanol has a molecular weight of 195.27 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanol is sourced from PubChem (CID 84666344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).