7-(2-aminoethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol

C10H17N3O — CID 112715402

IUPAC7-(2-aminoethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol
SMILESCC1CCc2cn[nH]c2C1(O)CCN
InChIInChI=1S/C10H17N3O/c1-7-2-3-8-6-12-13-9(8)10(7,14)4-5-11/h6-7,14H,2-5,11H2,1H3,(H,12,13)
InChIKeyVXNJSJIBEQDCEA-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.53
Rot. Bonds2

About 7-(2-aminoethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol

7-(2-aminoethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol (PubChem CID 112715402) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 7-(2-aminoethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol.

Molecular Properties

Compound Name7-(2-aminoethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol
PubChem CID112715402
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name7-(2-aminoethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol
SMILESCC1CCc2cn[nH]c2C1(O)CCN
InChIInChI=1S/C10H17N3O/c1-7-2-3-8-6-12-13-9(8)10(7,14)4-5-11/h6-7,14H,2-5,11H2,1H3,(H,12,13)
InChIKeyVXNJSJIBEQDCEA-UHFFFAOYSA-N
XLogP0.53
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-Tetrahydro-2H-indazol-7-ol
CID 54593563
6-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-7-ol
CID 129296491
6-ethyl-4,5,6,7-tetrahydro-1H-indazol-7-ol
CID 129296585
ethane;6-ethyl-4,5,6,7-tetrahydro-1H-indazol-7-ol
CID 145337729
6-methyl-4,5,6,7-tetrahydro-1H-indazol-7-ol
CID 145337813
4-(1-Aminoethyl)-1,5,6,7-tetrahydroindazol-4-ol
CID 82408241
7-(Aminomethyl)-1,4,5,6-tetrahydroindazol-7-ol
CID 83905565
4-(Aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol
CID 83905567
7-(2-Aminoethyl)-1,4,5,6-tetrahydroindazol-7-ol
CID 83906524
4-(2-Aminoethyl)-1,5,6,7-tetrahydroindazol-4-ol
CID 83906525
2-[4-(2-adamantyl)-1H-pyrazol-5-yl]-2-hydroxypropanenitrile
CID 84096486
(7R)-4,5,6,7-tetrahydro-1H-indazol-7-ol
CID 95241976

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol?
The IUPAC name of 7-(2-aminoethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol (CID 112715402) is 7-(2-aminoethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol.
What is the SMILES notation for 7-(2-aminoethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol?
The canonical SMILES for 7-(2-aminoethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol is CC1CCc2cn[nH]c2C1(O)CCN.
What is the InChIKey of 7-(2-aminoethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol?
The InChIKey is VXNJSJIBEQDCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-2-3-8-6-12-13-9(8)10(7,14)4-5-11/h6-7,14H,2-5,11H2,1H3,(H,12,13).
What are the key properties of 7-(2-aminoethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol?
7-(2-aminoethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol has a molecular weight of 195.27 g/mol, XLogP of 0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-6-methyl-1,4,5,6-tetrahydroindazol-7-ol is sourced from PubChem (CID 112715402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).