(1-tert-butylindazol-5-yl)methanol

C12H16N2O — CID 165154420

IUPAC(1-tert-butylindazol-5-yl)methanol
SMILESCC(C)(C)n1ncc2cc(CO)ccc21
InChIInChI=1S/C12H16N2O/c1-12(2,3)14-11-5-4-9(8-15)6-10(11)7-13-14/h4-7,15H,8H2,1-3H3
InChIKeyVXHCGSCYPWXBCC-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.28
Rot. Bonds1

About (1-tert-butylindazol-5-yl)methanol

(1-tert-butylindazol-5-yl)methanol (PubChem CID 165154420) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (1-tert-butylindazol-5-yl)methanol.

Molecular Properties

Compound Name(1-tert-butylindazol-5-yl)methanol
PubChem CID165154420
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(1-tert-butylindazol-5-yl)methanol
SMILESCC(C)(C)n1ncc2cc(CO)ccc21
InChIInChI=1S/C12H16N2O/c1-12(2,3)14-11-5-4-9(8-15)6-10(11)7-13-14/h4-7,15H,8H2,1-3H3
InChIKeyVXHCGSCYPWXBCC-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butylindazol-5-yl)methanol?
The IUPAC name of (1-tert-butylindazol-5-yl)methanol (CID 165154420) is (1-tert-butylindazol-5-yl)methanol.
What is the SMILES notation for (1-tert-butylindazol-5-yl)methanol?
The canonical SMILES for (1-tert-butylindazol-5-yl)methanol is CC(C)(C)n1ncc2cc(CO)ccc21.
What is the InChIKey of (1-tert-butylindazol-5-yl)methanol?
The InChIKey is VXHCGSCYPWXBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2,3)14-11-5-4-9(8-15)6-10(11)7-13-14/h4-7,15H,8H2,1-3H3.
What are the key properties of (1-tert-butylindazol-5-yl)methanol?
(1-tert-butylindazol-5-yl)methanol has a molecular weight of 204.27 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylindazol-5-yl)methanol is sourced from PubChem (CID 165154420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).