(3-ethyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methanone

C13H15N3O2 — CID 114213089

IUPAC(3-ethyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methanone
SMILESCCn1nncc1C(=O)c1ccc(C)cc1OC
InChIInChI=1S/C13H15N3O2/c1-4-16-11(8-14-15-16)13(17)10-6-5-9(2)7-12(10)18-3/h5-8H,4H2,1-3H3
InChIKeyWPCSHPXVRROSSB-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.85
Rot. Bonds4

About (3-ethyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methanone

(3-ethyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methanone (PubChem CID 114213089) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (3-ethyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-ethyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methanone
PubChem CID114213089
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(3-ethyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methanone
SMILESCCn1nncc1C(=O)c1ccc(C)cc1OC
InChIInChI=1S/C13H15N3O2/c1-4-16-11(8-14-15-16)13(17)10-6-5-9(2)7-12(10)18-3/h5-8H,4H2,1-3H3
InChIKeyWPCSHPXVRROSSB-UHFFFAOYSA-N
XLogP1.85
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone
CID 112742131
(5-chloro-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone
CID 114213437
(2-amino-3-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone
CID 114213093
(2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114972499
(2-methoxy-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 106790353
(1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115810306
(2-methoxyphenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685541
(2-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 106790144
1-(3-ethyltriazol-4-yl)-2-(4-methoxyphenyl)ethanone
CID 114213055
4-(3-ethyltriazol-4-yl)-4-oxobutanoic acid
CID 84733430
2-(3-ethyltriazol-4-yl)oxy-4-methoxybenzoic acid
CID 114223201
[2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone
CID 134514613

Frequently Asked Questions

What is the IUPAC name of (3-ethyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methanone?
The IUPAC name of (3-ethyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methanone (CID 114213089) is (3-ethyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for (3-ethyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methanone?
The canonical SMILES for (3-ethyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methanone is CCn1nncc1C(=O)c1ccc(C)cc1OC.
What is the InChIKey of (3-ethyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methanone?
The InChIKey is WPCSHPXVRROSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-4-16-11(8-14-15-16)13(17)10-6-5-9(2)7-12(10)18-3/h5-8H,4H2,1-3H3.
What are the key properties of (3-ethyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methanone?
(3-ethyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methanone has a molecular weight of 245.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 114213089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).