[4-(2-methoxyethyl)-5-(1-phenylpropyl)-1,2,4-triazol-3-yl]methanol

C15H21N3O2 — CID 115395992

IUPAC[4-(2-methoxyethyl)-5-(1-phenylpropyl)-1,2,4-triazol-3-yl]methanol
SMILESCCC(c1ccccc1)c1nnc(CO)n1CCOC
InChIInChI=1S/C15H21N3O2/c1-3-13(12-7-5-4-6-8-12)15-17-16-14(11-19)18(15)9-10-20-2/h4-8,13,19H,3,9-11H2,1-2H3
InChIKeyRYRBARQDQHCVOX-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.96
Rot. Bonds7

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

[4-(2-methoxyethyl)-5-(1-phenylpropyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 115395992) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [4-(2-methoxyethyl)-5-(1-phenylpropyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-methoxyethyl)-5-(1-phenylpropyl)-1,2,4-triazol-3-yl]methanol
PubChem CID115395992
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[4-(2-methoxyethyl)-5-(1-phenylpropyl)-1,2,4-triazol-3-yl]methanol
SMILESCCC(c1ccccc1)c1nnc(CO)n1CCOC
InChIInChI=1S/C15H21N3O2/c1-3-13(12-7-5-4-6-8-12)15-17-16-14(11-19)18(15)9-10-20-2/h4-8,13,19H,3,9-11H2,1-2H3
InChIKeyRYRBARQDQHCVOX-UHFFFAOYSA-N
XLogP1.96
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methoxyethyl)-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 115395893
[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
3-(bromomethyl)-5-(1-phenylpropyl)-4-propan-2-yl-1,2,4-triazole
CID 113302305
(5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol
CID 115396823
1-methyl-2-(1-phenylpropyl)imidazole
CID 67056293
(R)-[1-(2-methoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 40699008
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
3-(chloromethyl)-4-(2-methoxyethyl)-5-(3-phenylpropyl)-1,2,4-triazole
CID 115397497
[4-(2-methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213630

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)-5-(1-phenylpropyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(2-methoxyethyl)-5-(1-phenylpropyl)-1,2,4-triazol-3-yl]methanol (CID 115395992) is [4-(2-methoxyethyl)-5-(1-phenylpropyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(2-methoxyethyl)-5-(1-phenylpropyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(2-methoxyethyl)-5-(1-phenylpropyl)-1,2,4-triazol-3-yl]methanol is CCC(c1ccccc1)c1nnc(CO)n1CCOC.
What is the InChIKey of [4-(2-methoxyethyl)-5-(1-phenylpropyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is RYRBARQDQHCVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-13(12-7-5-4-6-8-12)15-17-16-14(11-19)18(15)9-10-20-2/h4-8,13,19H,3,9-11H2,1-2H3.
What are the key properties of [4-(2-methoxyethyl)-5-(1-phenylpropyl)-1,2,4-triazol-3-yl]methanol?
[4-(2-methoxyethyl)-5-(1-phenylpropyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 275.35 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)-5-(1-phenylpropyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115395992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).