ethane;(1-methylindazol-6-yl)methanol

C11H16N2O — CID 168921165

IUPACethane;(1-methylindazol-6-yl)methanol
SMILESCC.Cn1ncc2ccc(CO)cc21
InChIInChI=1S/C9H10N2O.C2H6/c1-11-9-4-7(6-12)2-3-8(9)5-10-11;1-2/h2-5,12H,6H2,1H3;1-2H3
InChIKeyDCYJCCAZTPRJQU-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.09
Rot. Bonds1

About ethane;(1-methylindazol-6-yl)methanol

ethane;(1-methylindazol-6-yl)methanol (PubChem CID 168921165) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is ethane;(1-methylindazol-6-yl)methanol.

Molecular Properties

Compound Nameethane;(1-methylindazol-6-yl)methanol
PubChem CID168921165
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Nameethane;(1-methylindazol-6-yl)methanol
SMILESCC.Cn1ncc2ccc(CO)cc21
InChIInChI=1S/C9H10N2O.C2H6/c1-11-9-4-7(6-12)2-3-8(9)5-10-11;1-2/h2-5,12H,6H2,1H3;1-2H3
InChIKeyDCYJCCAZTPRJQU-UHFFFAOYSA-N
XLogP2.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;(1-methylindazol-6-yl)methanol?
The IUPAC name of ethane;(1-methylindazol-6-yl)methanol (CID 168921165) is ethane;(1-methylindazol-6-yl)methanol.
What is the SMILES notation for ethane;(1-methylindazol-6-yl)methanol?
The canonical SMILES for ethane;(1-methylindazol-6-yl)methanol is CC.Cn1ncc2ccc(CO)cc21.
What is the InChIKey of ethane;(1-methylindazol-6-yl)methanol?
The InChIKey is DCYJCCAZTPRJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.C2H6/c1-11-9-4-7(6-12)2-3-8(9)5-10-11;1-2/h2-5,12H,6H2,1H3;1-2H3.
What are the key properties of ethane;(1-methylindazol-6-yl)methanol?
ethane;(1-methylindazol-6-yl)methanol has a molecular weight of 192.26 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1-methylindazol-6-yl)methanol is sourced from PubChem (CID 168921165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).