4-(aminomethyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ol

C9H15N3O — CID 83906519

IUPAC4-(aminomethyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ol
SMILESCc1[nH]nc2c1C(O)(CN)CCC2
InChIInChI=1S/C9H15N3O/c1-6-8-7(12-11-6)3-2-4-9(8,13)5-10/h13H,2-5,10H2,1H3,(H,11,12)
InChIKeyKIUIRVFQRKEEQE-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.20
Rot. Bonds1

About 4-(aminomethyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ol

4-(aminomethyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ol (PubChem CID 83906519) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(aminomethyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ol
PubChem CID83906519
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(aminomethyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ol
SMILESCc1[nH]nc2c1C(O)(CN)CCC2
InChIInChI=1S/C9H15N3O/c1-6-8-7(12-11-6)3-2-4-9(8,13)5-10/h13H,2-5,10H2,1H3,(H,11,12)
InChIKeyKIUIRVFQRKEEQE-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
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-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
3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
CID 66489339
4-(1-Aminoethyl)-1,5,6,7-tetrahydroindazol-4-ol
CID 82408241
3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 82591214
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
3-(2-Aminoethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
CID 83863611
3-(Aminomethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
CID 83863614

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 4-(aminomethyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ol (CID 83906519) is 4-(aminomethyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 4-(aminomethyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 4-(aminomethyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ol is Cc1[nH]nc2c1C(O)(CN)CCC2.
What is the InChIKey of 4-(aminomethyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is KIUIRVFQRKEEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-8-7(12-11-6)3-2-4-9(8,13)5-10/h13H,2-5,10H2,1H3,(H,11,12).
What are the key properties of 4-(aminomethyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ol?
4-(aminomethyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 181.24 g/mol, XLogP of 0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-methyl-2,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 83906519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).