1-(2-methoxyethyl)-4-phenyltriazole

C11H13N3O — CID 50852603

IUPAC1-(2-methoxyethyl)-4-phenyltriazole
SMILESCOCCn1cc(-c2ccccc2)nn1
InChIInChI=1S/C11H13N3O/c1-15-8-7-14-9-11(12-13-14)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyLDGNOGAWSZFJOY-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.59
Rot. Bonds4

About 1-(2-methoxyethyl)-4-phenyltriazole

1-(2-methoxyethyl)-4-phenyltriazole (PubChem CID 50852603) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-phenyltriazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-phenyltriazole
PubChem CID50852603
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-(2-methoxyethyl)-4-phenyltriazole
SMILESCOCCn1cc(-c2ccccc2)nn1
InChIInChI=1S/C11H13N3O/c1-15-8-7-14-9-11(12-13-14)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyLDGNOGAWSZFJOY-UHFFFAOYSA-N
XLogP1.59
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole
CID 50852608
2-methoxyethyl-[(4-phenyltriazol-1-yl)methyl]carbamic acid
CID 71431628
3-(2-methoxyethyl)-N-[2-(4-phenyltriazol-1-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 136574002
3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride
CID 86262386
1-(diethoxyphosphorylmethyl)-4-phenyltriazole
CID 86196609
trifluoro-[(4-phenyltriazol-1-yl)methyl]boranuide
CID 102386878
1-methyl-4-phenyltriazole
CID 11309663
1-(2,2-diethoxyethyl)-4-phenyltriazole
CID 134693344
1-[2-(4-phenyltriazol-1-yl)ethyl]cyclopropan-1-ol
CID 166251756
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide
CID 146152132
1-(2-fluoroethyl)-4-[4-(methoxymethyl)phenyl]triazole
CID 146397272

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-phenyltriazole?
The IUPAC name of 1-(2-methoxyethyl)-4-phenyltriazole (CID 50852603) is 1-(2-methoxyethyl)-4-phenyltriazole.
What is the SMILES notation for 1-(2-methoxyethyl)-4-phenyltriazole?
The canonical SMILES for 1-(2-methoxyethyl)-4-phenyltriazole is COCCn1cc(-c2ccccc2)nn1.
What is the InChIKey of 1-(2-methoxyethyl)-4-phenyltriazole?
The InChIKey is LDGNOGAWSZFJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-15-8-7-14-9-11(12-13-14)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-4-phenyltriazole?
1-(2-methoxyethyl)-4-phenyltriazole has a molecular weight of 203.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-phenyltriazole is sourced from PubChem (CID 50852603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).