4-(aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol

C8H13N3O — CID 83905567

IUPAC4-(aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol
SMILESNCC1(O)CCCc2[nH]ncc21
InChIInChI=1S/C8H13N3O/c9-5-8(12)3-1-2-7-6(8)4-10-11-7/h4,12H,1-3,5,9H2,(H,10,11)
InChIKeyOLPKVOJAECKKRY-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.11
Rot. Bonds1

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

4-(aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol (PubChem CID 83905567) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol
PubChem CID83905567
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-(aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol
SMILESNCC1(O)CCCc2[nH]ncc21
InChIInChI=1S/C8H13N3O/c9-5-8(12)3-1-2-7-6(8)4-10-11-7/h4,12H,1-3,5,9H2,(H,10,11)
InChIKeyOLPKVOJAECKKRY-UHFFFAOYSA-N
XLogP-0.11
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 57671326
(4S)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 89105238
6,6-Dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
CID 66489230
4-(1-Aminoethyl)-1,5,6,7-tetrahydroindazol-4-ol
CID 82408241
3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 83863575
4-(Aminomethyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ol
CID 83906519
4-(aminomethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83906522
4-(aminomethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83906523
7-(2-Aminoethyl)-1,4,5,6-tetrahydroindazol-7-ol
CID 83906524
4-(2-Aminoethyl)-1,5,6,7-tetrahydroindazol-4-ol
CID 83906525
4-(2-aminoethyl)-1-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83907843
4-(2-aminoethyl)-2-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83907844

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 4-(aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol (CID 83905567) is 4-(aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 4-(aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol is NCC1(O)CCCc2[nH]ncc21.
What is the InChIKey of 4-(aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is OLPKVOJAECKKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-5-8(12)3-1-2-7-6(8)4-10-11-7/h4,12H,1-3,5,9H2,(H,10,11).
What are the key properties of 4-(aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol?
4-(aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 167.21 g/mol, XLogP of -0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 83905567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).