3-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-ol

C11H19N3O — CID 84677163

IUPAC3-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-ol
SMILESCn1nc(C(O)CCN)c2c1CCCC2
InChIInChI=1S/C11H19N3O/c1-14-9-5-3-2-4-8(9)11(13-14)10(15)6-7-12/h10,15H,2-7,12H2,1H3
InChIKeyMURRJWGZAKTJNN-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.68
Rot. Bonds3

About 3-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-ol

3-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-ol (PubChem CID 84677163) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-ol
PubChem CID84677163
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-ol
SMILESCn1nc(C(O)CCN)c2c1CCCC2
InChIInChI=1S/C11H19N3O/c1-14-9-5-3-2-4-8(9)11(13-14)10(15)6-7-12/h10,15H,2-7,12H2,1H3
InChIKeyMURRJWGZAKTJNN-UHFFFAOYSA-N
XLogP0.68
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-ol (CID 84677163) is 3-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-ol is Cn1nc(C(O)CCN)c2c1CCCC2.
What is the InChIKey of 3-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-ol?
The InChIKey is MURRJWGZAKTJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-14-9-5-3-2-4-8(9)11(13-14)10(15)6-7-12/h10,15H,2-7,12H2,1H3.
What are the key properties of 3-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-ol?
3-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-1-ol is sourced from PubChem (CID 84677163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).