[2-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanol

C13H18N4O2 — CID 106597594

IUPAC[2-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanol
SMILESCn1cnc(Oc2cc(CO)cc(C(C)(C)C)n2)n1
InChIInChI=1S/C13H18N4O2/c1-13(2,3)10-5-9(7-18)6-11(15-10)19-12-14-8-17(4)16-12/h5-6,8,18H,7H2,1-4H3
InChIKeyIJRAJAHXNNEKBQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.79
Rot. Bonds3

About [2-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanol

[2-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanol (PubChem CID 106597594) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is [2-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanol
PubChem CID106597594
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name[2-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanol
SMILESCn1cnc(Oc2cc(CO)cc(C(C)(C)C)n2)n1
InChIInChI=1S/C13H18N4O2/c1-13(2,3)10-5-9(7-18)6-11(15-10)19-12-14-8-17(4)16-12/h5-6,8,18H,7H2,1-4H3
InChIKeyIJRAJAHXNNEKBQ-UHFFFAOYSA-N
XLogP1.79
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanol?
The IUPAC name of [2-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanol (CID 106597594) is [2-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanol.
What is the SMILES notation for [2-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanol?
The canonical SMILES for [2-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanol is Cn1cnc(Oc2cc(CO)cc(C(C)(C)C)n2)n1.
What is the InChIKey of [2-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanol?
The InChIKey is IJRAJAHXNNEKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-13(2,3)10-5-9(7-18)6-11(15-10)19-12-14-8-17(4)16-12/h5-6,8,18H,7H2,1-4H3.
What are the key properties of [2-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanol?
[2-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanol has a molecular weight of 262.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanol is sourced from PubChem (CID 106597594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).