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

C10H17N3O — CID 83863614

IUPAC3-(aminomethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
SMILESCC1(C)Cc2[nH]nc(CN)c2C(O)C1
InChIInChI=1S/C10H17N3O/c1-10(2)3-6-9(8(14)4-10)7(5-11)13-12-6/h8,14H,3-5,11H2,1-2H3,(H,12,13)
InChIKeySLDQVZYCHFAIOU-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.87
Rot. Bonds1

About 3-(aminomethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol

3-(aminomethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol (PubChem CID 83863614) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(aminomethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
PubChem CID83863614
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-(aminomethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
SMILESCC1(C)Cc2[nH]nc(CN)c2C(O)C1
InChIInChI=1S/C10H17N3O/c1-10(2)3-6-9(8(14)4-10)7(5-11)13-12-6/h8,14H,3-5,11H2,1-2H3,(H,12,13)
InChIKeySLDQVZYCHFAIOU-UHFFFAOYSA-N
XLogP0.87
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 168250716
6,6-Dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol
CID 71032665
3-Ethylspiro[1,4,5,7-tetrahydroindazole-6,4'-oxane]-4-ol
CID 135141434
3-methyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 13333938
3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 15192804
3,6,6-Trimethyl-2,4,5,7-tetrahydroindazol-4-ol
CID 19245291
6,6-Dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
CID 66489230
3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
CID 66489339
3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 82591214
3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-6-ol
CID 83854745
3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 83863575
3-(methylaminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 83863577

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol?
The IUPAC name of 3-(aminomethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol (CID 83863614) is 3-(aminomethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 3-(aminomethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol?
The canonical SMILES for 3-(aminomethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol is CC1(C)Cc2[nH]nc(CN)c2C(O)C1.
What is the InChIKey of 3-(aminomethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol?
The InChIKey is SLDQVZYCHFAIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2)3-6-9(8(14)4-10)7(5-11)13-12-6/h8,14H,3-5,11H2,1-2H3,(H,12,13).
What are the key properties of 3-(aminomethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol?
3-(aminomethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol has a molecular weight of 195.27 g/mol, XLogP of 0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 83863614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).