(4,7-dimethyl-3a,4-dihydro-1H-indazol-3-yl)-(methylamino)methanol

C11H17N3O — CID 126632903

IUPAC(4,7-dimethyl-3a,4-dihydro-1H-indazol-3-yl)-(methylamino)methanol
SMILESCNC(O)C1=NNC2=C(C)C=CC(C)C12
InChIInChI=1S/C11H17N3O/c1-6-4-5-7(2)9-8(6)10(14-13-9)11(15)12-3/h4-6,8,11-13,15H,1-3H3
InChIKeyRYSGMQTWLNIPEG-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.58
Rot. Bonds2

About (4,7-dimethyl-3a,4-dihydro-1H-indazol-3-yl)-(methylamino)methanol

(4,7-dimethyl-3a,4-dihydro-1H-indazol-3-yl)-(methylamino)methanol (PubChem CID 126632903) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (4,7-dimethyl-3a,4-dihydro-1H-indazol-3-yl)-(methylamino)methanol.

Molecular Properties

Compound Name(4,7-dimethyl-3a,4-dihydro-1H-indazol-3-yl)-(methylamino)methanol
PubChem CID126632903
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(4,7-dimethyl-3a,4-dihydro-1H-indazol-3-yl)-(methylamino)methanol
SMILESCNC(O)C1=NNC2=C(C)C=CC(C)C12
InChIInChI=1S/C11H17N3O/c1-6-4-5-7(2)9-8(6)10(14-13-9)11(15)12-3/h4-6,8,11-13,15H,1-3H3
InChIKeyRYSGMQTWLNIPEG-UHFFFAOYSA-N
XLogP0.58
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4,7-dimethyl-3a,4-dihydro-1H-indazol-3-yl)-(methylamino)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,7-dimethyl-3a,4-dihydro-1H-indazol-3-yl)-(methylamino)methanol?
The IUPAC name of (4,7-dimethyl-3a,4-dihydro-1H-indazol-3-yl)-(methylamino)methanol (CID 126632903) is (4,7-dimethyl-3a,4-dihydro-1H-indazol-3-yl)-(methylamino)methanol.
What is the SMILES notation for (4,7-dimethyl-3a,4-dihydro-1H-indazol-3-yl)-(methylamino)methanol?
The canonical SMILES for (4,7-dimethyl-3a,4-dihydro-1H-indazol-3-yl)-(methylamino)methanol is CNC(O)C1=NNC2=C(C)C=CC(C)C12.
What is the InChIKey of (4,7-dimethyl-3a,4-dihydro-1H-indazol-3-yl)-(methylamino)methanol?
The InChIKey is RYSGMQTWLNIPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-6-4-5-7(2)9-8(6)10(14-13-9)11(15)12-3/h4-6,8,11-13,15H,1-3H3.
What are the key properties of (4,7-dimethyl-3a,4-dihydro-1H-indazol-3-yl)-(methylamino)methanol?
(4,7-dimethyl-3a,4-dihydro-1H-indazol-3-yl)-(methylamino)methanol has a molecular weight of 207.28 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,7-dimethyl-3a,4-dihydro-1H-indazol-3-yl)-(methylamino)methanol is sourced from PubChem (CID 126632903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).