2-[4-[2-(6-methoxy-3-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethanol

C19H22N4O4 — CID 142920151

IUPAC2-[4-[2-(6-methoxy-3-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethanol
SMILESCOc1ccc(-n2nc(OC(C)C)nc2-c2ccc(OCCO)cc2)cn1
InChIInChI=1S/C19H22N4O4/c1-13(2)27-19-21-18(14-4-7-16(8-5-14)26-11-10-24)23(22-19)15-6-9-17(25-3)20-12-15/h4-9,12-13,24H,10-11H2,1-3H3
InChIKeyWWOGGUYHAQIANU-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.50
Rot. Bonds8

About 2-[4-[2-(6-methoxy-3-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethanol

2-[4-[2-(6-methoxy-3-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethanol (PubChem CID 142920151) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[4-[2-(6-methoxy-3-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[2-(6-methoxy-3-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethanol
PubChem CID142920151
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-[4-[2-(6-methoxy-3-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethanol
SMILESCOc1ccc(-n2nc(OC(C)C)nc2-c2ccc(OCCO)cc2)cn1
InChIInChI=1S/C19H22N4O4/c1-13(2)27-19-21-18(14-4-7-16(8-5-14)26-11-10-24)23(22-19)15-6-9-17(25-3)20-12-15/h4-9,12-13,24H,10-11H2,1-3H3
InChIKeyWWOGGUYHAQIANU-UHFFFAOYSA-N
XLogP2.50
TPSA91.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[2-(6-methoxy-3-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethanol with MolForge

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Related Compounds

2-[4-[2-(4-methoxyphenyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethylurea
CID 10386925
2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol
CID 58806821
2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea
CID 21091099
2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol;hydrochloride
CID 159291199
ethane;1-[1-[4-(2-hydroxyethoxy)phenyl]-2-(6-methoxy-3-pyridinyl)imidazol-4-yl]-2-methylpropan-1-one
CID 142920199
2-methoxy-5-[5-(4-phenylmethoxyphenyl)-3-propan-2-yloxypyrazol-1-yl]pyridine
CID 21091017
2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenoxy]ethylurea
CID 21091103
3-ethoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole
CID 10268196
2-[4-[5-methoxy-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenoxy]ethylurea
CID 10022837
2-[4-[3-(2-hydroxypropan-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylcarbamic acid
CID 69333103
4-[5-(2,2-difluoroethoxy)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol
CID 142920182
2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091069

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(6-methoxy-3-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[2-(6-methoxy-3-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethanol (CID 142920151) is 2-[4-[2-(6-methoxy-3-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[2-(6-methoxy-3-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[2-(6-methoxy-3-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethanol is COc1ccc(-n2nc(OC(C)C)nc2-c2ccc(OCCO)cc2)cn1.
What is the InChIKey of 2-[4-[2-(6-methoxy-3-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethanol?
The InChIKey is WWOGGUYHAQIANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-13(2)27-19-21-18(14-4-7-16(8-5-14)26-11-10-24)23(22-19)15-6-9-17(25-3)20-12-15/h4-9,12-13,24H,10-11H2,1-3H3.
What are the key properties of 2-[4-[2-(6-methoxy-3-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethanol?
2-[4-[2-(6-methoxy-3-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethanol has a molecular weight of 370.41 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(6-methoxy-3-pyridinyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethanol is sourced from PubChem (CID 142920151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).