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

C9H15N3O — CID 83906524

IUPAC7-(2-aminoethyl)-1,4,5,6-tetrahydroindazol-7-ol
SMILESNCCC1(O)CCCc2cn[nH]c21
InChIInChI=1S/C9H15N3O/c10-5-4-9(13)3-1-2-7-6-11-12-8(7)9/h6,13H,1-5,10H2,(H,11,12)
InChIKeyBVRVQDHEAUGJRR-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.28
Rot. Bonds2

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

7-(2-aminoethyl)-1,4,5,6-tetrahydroindazol-7-ol (PubChem CID 83906524) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 7-(2-aminoethyl)-1,4,5,6-tetrahydroindazol-7-ol.

Molecular Properties

Compound Name7-(2-aminoethyl)-1,4,5,6-tetrahydroindazol-7-ol
PubChem CID83906524
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name7-(2-aminoethyl)-1,4,5,6-tetrahydroindazol-7-ol
SMILESNCCC1(O)CCCc2cn[nH]c21
InChIInChI=1S/C9H15N3O/c10-5-4-9(13)3-1-2-7-6-11-12-8(7)9/h6,13H,1-5,10H2,(H,11,12)
InChIKeyBVRVQDHEAUGJRR-UHFFFAOYSA-N
XLogP0.28
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.28
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
1-(1H-Pyrazol-3-yl)cyclohexan-1-ol
CID 4588584
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
7-(Aminomethyl)-1,4,5,6-tetrahydroindazol-7-ol
CID 83905565
4-(Aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol
CID 83905567
7-(aminomethyl)-1-methyl-5,6-dihydro-4H-indazol-7-ol
CID 83906517
7-(aminomethyl)-2-methyl-5,6-dihydro-4H-indazol-7-ol
CID 83906518
4-(2-Aminoethyl)-1,5,6,7-tetrahydroindazol-4-ol
CID 83906525
7-(2-aminoethyl)-1-methyl-5,6-dihydro-4H-indazol-7-ol
CID 83907841

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-1,4,5,6-tetrahydroindazol-7-ol?
The IUPAC name of 7-(2-aminoethyl)-1,4,5,6-tetrahydroindazol-7-ol (CID 83906524) is 7-(2-aminoethyl)-1,4,5,6-tetrahydroindazol-7-ol.
What is the SMILES notation for 7-(2-aminoethyl)-1,4,5,6-tetrahydroindazol-7-ol?
The canonical SMILES for 7-(2-aminoethyl)-1,4,5,6-tetrahydroindazol-7-ol is NCCC1(O)CCCc2cn[nH]c21.
What is the InChIKey of 7-(2-aminoethyl)-1,4,5,6-tetrahydroindazol-7-ol?
The InChIKey is BVRVQDHEAUGJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-5-4-9(13)3-1-2-7-6-11-12-8(7)9/h6,13H,1-5,10H2,(H,11,12).
What are the key properties of 7-(2-aminoethyl)-1,4,5,6-tetrahydroindazol-7-ol?
7-(2-aminoethyl)-1,4,5,6-tetrahydroindazol-7-ol has a molecular weight of 181.24 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-1,4,5,6-tetrahydroindazol-7-ol is sourced from PubChem (CID 83906524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).