[4-(2-methoxyethyl)-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanol

C14H19N3O3 — CID 115395893

IUPAC[4-(2-methoxyethyl)-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C(OC)c1ccccc1
InChIInChI=1S/C14H19N3O3/c1-19-9-8-17-12(10-18)15-16-14(17)13(20-2)11-6-4-3-5-7-11/h3-7,13,18H,8-10H2,1-2H3
InChIKeyRPRIAMHKCXJOIQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.15
Rot. Bonds7

About [4-(2-methoxyethyl)-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanol

[4-(2-methoxyethyl)-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 115395893) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is [4-(2-methoxyethyl)-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-methoxyethyl)-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanol
PubChem CID115395893
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name[4-(2-methoxyethyl)-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C(OC)c1ccccc1
InChIInChI=1S/C14H19N3O3/c1-19-9-8-17-12(10-18)15-16-14(17)13(20-2)11-6-4-3-5-7-11/h3-7,13,18H,8-10H2,1-2H3
InChIKeyRPRIAMHKCXJOIQ-UHFFFAOYSA-N
XLogP1.15
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-methoxyethyl)-5-(1-phenylpropyl)-1,2,4-triazol-3-yl]methanol
CID 115395992
[5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 114282373
[4-(2-methoxyethyl)-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanol
CID 115395928
[4-cyclopropyl-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 112593150
(R)-[1-(2-methoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 40699008
5-[methoxy(phenyl)methyl]-4-methyl-1,2,4-triazole-3-sulfonyl chloride
CID 113366224
2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
CID 3214898
[4-(2-methoxyethyl)-5-(3-methyl-2-nitrophenyl)-1,2,4-triazol-3-yl]methanol
CID 115395940
[5-(5-bromo-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 115395966
1-[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 70747389
[5-(3-bromo-5-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 115396004
3-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81494334

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(2-methoxyethyl)-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanol (CID 115395893) is [4-(2-methoxyethyl)-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(2-methoxyethyl)-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(2-methoxyethyl)-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanol is COCCn1c(CO)nnc1C(OC)c1ccccc1.
What is the InChIKey of [4-(2-methoxyethyl)-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is RPRIAMHKCXJOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-19-9-8-17-12(10-18)15-16-14(17)13(20-2)11-6-4-3-5-7-11/h3-7,13,18H,8-10H2,1-2H3.
What are the key properties of [4-(2-methoxyethyl)-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanol?
[4-(2-methoxyethyl)-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 277.32 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115395893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).