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

C9H15N3O — CID 83854749

IUPAC3-(aminomethyl)-1-methyl-4,5,6,7-tetrahydroindazol-6-ol
SMILESCn1nc(CN)c2c1CC(O)CC2
InChIInChI=1S/C9H15N3O/c1-12-9-4-6(13)2-3-7(9)8(5-10)11-12/h6,13H,2-5,10H2,1H3
InChIKeyUBUTUSXNZDZZIU-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.27
Rot. Bonds1

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

3-(aminomethyl)-1-methyl-4,5,6,7-tetrahydroindazol-6-ol (PubChem CID 83854749) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(aminomethyl)-1-methyl-4,5,6,7-tetrahydroindazol-6-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-methyl-4,5,6,7-tetrahydroindazol-6-ol
PubChem CID83854749
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(aminomethyl)-1-methyl-4,5,6,7-tetrahydroindazol-6-ol
SMILESCn1nc(CN)c2c1CC(O)CC2
InChIInChI=1S/C9H15N3O/c1-12-9-4-6(13)2-3-7(9)8(5-10)11-12/h6,13H,2-5,10H2,1H3
InChIKeyUBUTUSXNZDZZIU-UHFFFAOYSA-N
XLogP-0.27
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-methyl-4,5,6,7-tetrahydroindazol-6-ol?
The IUPAC name of 3-(aminomethyl)-1-methyl-4,5,6,7-tetrahydroindazol-6-ol (CID 83854749) is 3-(aminomethyl)-1-methyl-4,5,6,7-tetrahydroindazol-6-ol.
What is the SMILES notation for 3-(aminomethyl)-1-methyl-4,5,6,7-tetrahydroindazol-6-ol?
The canonical SMILES for 3-(aminomethyl)-1-methyl-4,5,6,7-tetrahydroindazol-6-ol is Cn1nc(CN)c2c1CC(O)CC2.
What is the InChIKey of 3-(aminomethyl)-1-methyl-4,5,6,7-tetrahydroindazol-6-ol?
The InChIKey is UBUTUSXNZDZZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-9-4-6(13)2-3-7(9)8(5-10)11-12/h6,13H,2-5,10H2,1H3.
What are the key properties of 3-(aminomethyl)-1-methyl-4,5,6,7-tetrahydroindazol-6-ol?
3-(aminomethyl)-1-methyl-4,5,6,7-tetrahydroindazol-6-ol has a molecular weight of 181.24 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-methyl-4,5,6,7-tetrahydroindazol-6-ol is sourced from PubChem (CID 83854749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).