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

C9H15N3O — CID 112714737

IUPAC4-(aminomethyl)-5-methyl-1,5,6,7-tetrahydroindazol-4-ol
SMILESCC1CCc2[nH]ncc2C1(O)CN
InChIInChI=1S/C9H15N3O/c1-6-2-3-8-7(4-11-12-8)9(6,13)5-10/h4,6,13H,2-3,5,10H2,1H3,(H,11,12)
InChIKeyKVRPMOVVMKEJEO-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.14
Rot. Bonds1

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

4-(aminomethyl)-5-methyl-1,5,6,7-tetrahydroindazol-4-ol (PubChem CID 112714737) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(aminomethyl)-5-methyl-1,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-5-methyl-1,5,6,7-tetrahydroindazol-4-ol
PubChem CID112714737
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(aminomethyl)-5-methyl-1,5,6,7-tetrahydroindazol-4-ol
SMILESCC1CCc2[nH]ncc2C1(O)CN
InChIInChI=1S/C9H15N3O/c1-6-2-3-8-7(4-11-12-8)9(6,13)5-10/h4,6,13H,2-3,5,10H2,1H3,(H,11,12)
InChIKeyKVRPMOVVMKEJEO-UHFFFAOYSA-N
XLogP0.14
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.14
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
(4R,5R)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole
CID 163277295
4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole
CID 167037026
6,6-Dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
CID 66489230
7-(5-methyl-1H-pyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol
CID 79331472
6-(5-methyl-1H-pyrazol-4-yl)bicyclo[3.1.0]hexan-6-ol
CID 79331666
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-(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

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-methyl-1,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 4-(aminomethyl)-5-methyl-1,5,6,7-tetrahydroindazol-4-ol (CID 112714737) is 4-(aminomethyl)-5-methyl-1,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 4-(aminomethyl)-5-methyl-1,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 4-(aminomethyl)-5-methyl-1,5,6,7-tetrahydroindazol-4-ol is CC1CCc2[nH]ncc2C1(O)CN.
What is the InChIKey of 4-(aminomethyl)-5-methyl-1,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is KVRPMOVVMKEJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-2-3-8-7(4-11-12-8)9(6,13)5-10/h4,6,13H,2-3,5,10H2,1H3,(H,11,12).
What are the key properties of 4-(aminomethyl)-5-methyl-1,5,6,7-tetrahydroindazol-4-ol?
4-(aminomethyl)-5-methyl-1,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 181.24 g/mol, XLogP of 0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-methyl-1,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 112714737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).