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

C9H15N3O — CID 83863691

IUPAC3-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCn1nc2c(c1CN)C(O)CCC2
InChIInChI=1S/C9H15N3O/c1-12-7(5-10)9-6(11-12)3-2-4-8(9)13/h8,13H,2-5,10H2,1H3
InChIKeyHZOUJHQLMVDRRH-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.25
Rot. Bonds1

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

3-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol (PubChem CID 83863691) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name3-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol
PubChem CID83863691
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCn1nc2c(c1CN)C(O)CCC2
InChIInChI=1S/C9H15N3O/c1-12-7(5-10)9-6(11-12)3-2-4-8(9)13/h8,13H,2-5,10H2,1H3
InChIKeyHZOUJHQLMVDRRH-UHFFFAOYSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 3-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol (CID 83863691) is 3-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 3-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 3-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol is Cn1nc2c(c1CN)C(O)CCC2.
What is the InChIKey of 3-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is HZOUJHQLMVDRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-7(5-10)9-6(11-12)3-2-4-8(9)13/h8,13H,2-5,10H2,1H3.
What are the key properties of 3-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol?
3-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 181.24 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 83863691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).