1-(4-ethylphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide

C19H20N4O2 — CID 2150378

IUPAC1-(4-ethylphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1ccc(-n2nnc(C(=O)Nc3ccc(OC)cc3)c2C)cc1
InChIInChI=1S/C19H20N4O2/c1-4-14-5-9-16(10-6-14)23-13(2)18(21-22-23)19(24)20-15-7-11-17(25-3)12-8-15/h5-12H,4H2,1-3H3,(H,20,24)
InChIKeyMHWJWYYYMKVJJR-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.40
Rot. Bonds5

About 1-(4-ethylphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide

1-(4-ethylphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 2150378) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID2150378
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(4-ethylphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1ccc(-n2nnc(C(=O)Nc3ccc(OC)cc3)c2C)cc1
InChIInChI=1S/C19H20N4O2/c1-4-14-5-9-16(10-6-14)23-13(2)18(21-22-23)19(24)20-15-7-11-17(25-3)12-8-15/h5-12H,4H2,1-3H3,(H,20,24)
InChIKeyMHWJWYYYMKVJJR-UHFFFAOYSA-N
XLogP3.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide (CID 2150378) is 1-(4-ethylphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide is CCc1ccc(-n2nnc(C(=O)Nc3ccc(OC)cc3)c2C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is MHWJWYYYMKVJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-4-14-5-9-16(10-6-14)23-13(2)18(21-22-23)19(24)20-15-7-11-17(25-3)12-8-15/h5-12H,4H2,1-3H3,(H,20,24).
What are the key properties of 1-(4-ethylphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide?
1-(4-ethylphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 2150378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).