4-(aminomethyl)-5,5-dimethyl-6,7-dihydro-1H-indazol-4-ol

C10H17N3O — CID 112715391

IUPAC4-(aminomethyl)-5,5-dimethyl-6,7-dihydro-1H-indazol-4-ol
SMILESCC1(C)CCc2[nH]ncc2C1(O)CN
InChIInChI=1S/C10H17N3O/c1-9(2)4-3-8-7(5-12-13-8)10(9,14)6-11/h5,14H,3-4,6,11H2,1-2H3,(H,12,13)
InChIKeyIKUOTIKWYLYWFQ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.53
Rot. Bonds1

About 4-(aminomethyl)-5,5-dimethyl-6,7-dihydro-1H-indazol-4-ol

4-(aminomethyl)-5,5-dimethyl-6,7-dihydro-1H-indazol-4-ol (PubChem CID 112715391) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(aminomethyl)-5,5-dimethyl-6,7-dihydro-1H-indazol-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-5,5-dimethyl-6,7-dihydro-1H-indazol-4-ol
PubChem CID112715391
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(aminomethyl)-5,5-dimethyl-6,7-dihydro-1H-indazol-4-ol
SMILESCC1(C)CCc2[nH]ncc2C1(O)CN
InChIInChI=1S/C10H17N3O/c1-9(2)4-3-8-7(5-12-13-8)10(9,14)6-11/h5,14H,3-4,6,11H2,1-2H3,(H,12,13)
InChIKeyIKUOTIKWYLYWFQ-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
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
4-(Aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol
CID 83905567
4-(Aminomethyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ol
CID 83906519
4-(2-Aminoethyl)-1,5,6,7-tetrahydroindazol-4-ol
CID 83906525
4-(Aminomethyl)-3-cyclopropyl-1,5,6,7-tetrahydroindazol-4-ol
CID 83909020
4-(Aminomethyl)-3-propan-2-yl-1,5,6,7-tetrahydroindazol-4-ol
CID 83909373
4-(2-Aminoethyl)-3-ethyl-1,5,6,7-tetrahydroindazol-4-ol
CID 83909377
(4R)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
CID 95865329
(4S)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
CID 95865330

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5,5-dimethyl-6,7-dihydro-1H-indazol-4-ol?
The IUPAC name of 4-(aminomethyl)-5,5-dimethyl-6,7-dihydro-1H-indazol-4-ol (CID 112715391) is 4-(aminomethyl)-5,5-dimethyl-6,7-dihydro-1H-indazol-4-ol.
What is the SMILES notation for 4-(aminomethyl)-5,5-dimethyl-6,7-dihydro-1H-indazol-4-ol?
The canonical SMILES for 4-(aminomethyl)-5,5-dimethyl-6,7-dihydro-1H-indazol-4-ol is CC1(C)CCc2[nH]ncc2C1(O)CN.
What is the InChIKey of 4-(aminomethyl)-5,5-dimethyl-6,7-dihydro-1H-indazol-4-ol?
The InChIKey is IKUOTIKWYLYWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-9(2)4-3-8-7(5-12-13-8)10(9,14)6-11/h5,14H,3-4,6,11H2,1-2H3,(H,12,13).
What are the key properties of 4-(aminomethyl)-5,5-dimethyl-6,7-dihydro-1H-indazol-4-ol?
4-(aminomethyl)-5,5-dimethyl-6,7-dihydro-1H-indazol-4-ol has a molecular weight of 195.27 g/mol, XLogP of 0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5,5-dimethyl-6,7-dihydro-1H-indazol-4-ol is sourced from PubChem (CID 112715391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).