[3-[[1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]methoxy]phenyl]methanol

C19H22N4O3 — CID 167867440

IUPAC[3-[[1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]methoxy]phenyl]methanol
SMILESCOc1nc(C)cc(C)c1Cn1cc(COc2cccc(CO)c2)nn1
InChIInChI=1S/C19H22N4O3/c1-13-7-14(2)20-19(25-3)18(13)10-23-9-16(21-22-23)12-26-17-6-4-5-15(8-17)11-24/h4-9,24H,10-12H2,1-3H3
InChIKeyMWHCOHJLYFWDGK-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.42
Rot. Bonds7

About [3-[[1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]methoxy]phenyl]methanol

[3-[[1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]methoxy]phenyl]methanol (PubChem CID 167867440) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is [3-[[1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-[[1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]methoxy]phenyl]methanol
PubChem CID167867440
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name[3-[[1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]methoxy]phenyl]methanol
SMILESCOc1nc(C)cc(C)c1Cn1cc(COc2cccc(CO)c2)nn1
InChIInChI=1S/C19H22N4O3/c1-13-7-14(2)20-19(25-3)18(13)10-23-9-16(21-22-23)12-26-17-6-4-5-15(8-17)11-24/h4-9,24H,10-12H2,1-3H3
InChIKeyMWHCOHJLYFWDGK-UHFFFAOYSA-N
XLogP2.42
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[[1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]methoxy]phenyl]methanol?
The IUPAC name of [3-[[1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]methoxy]phenyl]methanol (CID 167867440) is [3-[[1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]methoxy]phenyl]methanol.
What is the SMILES notation for [3-[[1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]methoxy]phenyl]methanol?
The canonical SMILES for [3-[[1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]methoxy]phenyl]methanol is COc1nc(C)cc(C)c1Cn1cc(COc2cccc(CO)c2)nn1.
What is the InChIKey of [3-[[1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]methoxy]phenyl]methanol?
The InChIKey is MWHCOHJLYFWDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13-7-14(2)20-19(25-3)18(13)10-23-9-16(21-22-23)12-26-17-6-4-5-15(8-17)11-24/h4-9,24H,10-12H2,1-3H3.
What are the key properties of [3-[[1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]methoxy]phenyl]methanol?
[3-[[1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]methoxy]phenyl]methanol has a molecular weight of 354.41 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]triazol-4-yl]methoxy]phenyl]methanol is sourced from PubChem (CID 167867440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).