[1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazol-4-yl]methanol

C17H18N4O2 — CID 94944919

IUPAC[1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazol-4-yl]methanol
SMILESCc1cccc(OCCn2nnc(CO)c2-c2ccncc2)c1
InChIInChI=1S/C17H18N4O2/c1-13-3-2-4-15(11-13)23-10-9-21-17(16(12-22)19-20-21)14-5-7-18-8-6-14/h2-8,11,22H,9-10,12H2,1H3
InChIKeyVBYGZYNBRZRRME-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.22
Rot. Bonds6

About [1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazol-4-yl]methanol

[1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazol-4-yl]methanol (PubChem CID 94944919) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is [1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazol-4-yl]methanol
PubChem CID94944919
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name[1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazol-4-yl]methanol
SMILESCc1cccc(OCCn2nnc(CO)c2-c2ccncc2)c1
InChIInChI=1S/C17H18N4O2/c1-13-3-2-4-15(11-13)23-10-9-21-17(16(12-22)19-20-21)14-5-7-18-8-6-14/h2-8,11,22H,9-10,12H2,1H3
InChIKeyVBYGZYNBRZRRME-UHFFFAOYSA-N
XLogP2.22
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazole-4-carbaldehyde
CID 94944920
[5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol
CID 82209110
[5-cyclohexyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol
CID 94944899
[5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 82209124
[1-heptyl-5-(3-methylphenyl)triazol-4-yl]methanol
CID 82208036
[1-[2-(3-methylphenoxy)ethyl]-5-propyltriazol-4-yl]methanamine
CID 82209115
4-[4-methyl-5-[2-(3-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 4788103
[1-(3-phenoxypropyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 94945102
1-[2-(4-methylphenoxy)ethyl]-5-pyridin-4-yltriazole-4-carbonitrile
CID 82209185
4-[2-(3-methylphenoxy)ethyl]pyridine
CID 64765282
2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol
CID 82210098
[1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanol
CID 62401478

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazol-4-yl]methanol?
The IUPAC name of [1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazol-4-yl]methanol (CID 94944919) is [1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazol-4-yl]methanol?
The canonical SMILES for [1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazol-4-yl]methanol is Cc1cccc(OCCn2nnc(CO)c2-c2ccncc2)c1.
What is the InChIKey of [1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazol-4-yl]methanol?
The InChIKey is VBYGZYNBRZRRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-13-3-2-4-15(11-13)23-10-9-21-17(16(12-22)19-20-21)14-5-7-18-8-6-14/h2-8,11,22H,9-10,12H2,1H3.
What are the key properties of [1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazol-4-yl]methanol?
[1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazol-4-yl]methanol has a molecular weight of 310.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazol-4-yl]methanol is sourced from PubChem (CID 94944919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).