(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)methanol

C11H18N2O — CID 68792130

IUPAC(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)methanol
SMILESCn1nc(CO)c2c1CC(C)(C)CC2
InChIInChI=1S/C11H18N2O/c1-11(2)5-4-8-9(7-14)12-13(3)10(8)6-11/h14H,4-7H2,1-3H3
InChIKeyWLGWOQFRRCVJQT-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.43
Rot. Bonds1

About (1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)methanol

(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)methanol (PubChem CID 68792130) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)methanol.

Molecular Properties

Compound Name(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)methanol
PubChem CID68792130
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)methanol
SMILESCn1nc(CO)c2c1CC(C)(C)CC2
InChIInChI=1S/C11H18N2O/c1-11(2)5-4-8-9(7-14)12-13(3)10(8)6-11/h14H,4-7H2,1-3H3
InChIKeyWLGWOQFRRCVJQT-UHFFFAOYSA-N
XLogP1.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)methanol?
The IUPAC name of (1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)methanol (CID 68792130) is (1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)methanol.
What is the SMILES notation for (1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)methanol?
The canonical SMILES for (1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)methanol is Cn1nc(CO)c2c1CC(C)(C)CC2.
What is the InChIKey of (1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)methanol?
The InChIKey is WLGWOQFRRCVJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2)5-4-8-9(7-14)12-13(3)10(8)6-11/h14H,4-7H2,1-3H3.
What are the key properties of (1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)methanol?
(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)methanol has a molecular weight of 194.28 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)methanol is sourced from PubChem (CID 68792130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).