5-(methoxymethyl)-1-(4-methylphenyl)-N-propan-2-yltriazole-4-carboxamide

C15H20N4O2 — CID 16651675

IUPAC5-(methoxymethyl)-1-(4-methylphenyl)-N-propan-2-yltriazole-4-carboxamide
SMILESCOCc1c(C(=O)NC(C)C)nnn1-c1ccc(C)cc1
InChIInChI=1S/C15H20N4O2/c1-10(2)16-15(20)14-13(9-21-4)19(18-17-14)12-7-5-11(3)6-8-12/h5-8,10H,9H2,1-4H3,(H,16,20)
InChIKeyAHGQVGKRXPHNJW-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.86
Rot. Bonds5

About 5-(methoxymethyl)-1-(4-methylphenyl)-N-propan-2-yltriazole-4-carboxamide

5-(methoxymethyl)-1-(4-methylphenyl)-N-propan-2-yltriazole-4-carboxamide (PubChem CID 16651675) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-(4-methylphenyl)-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-1-(4-methylphenyl)-N-propan-2-yltriazole-4-carboxamide
PubChem CID16651675
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-(methoxymethyl)-1-(4-methylphenyl)-N-propan-2-yltriazole-4-carboxamide
SMILESCOCc1c(C(=O)NC(C)C)nnn1-c1ccc(C)cc1
InChIInChI=1S/C15H20N4O2/c1-10(2)16-15(20)14-13(9-21-4)19(18-17-14)12-7-5-11(3)6-8-12/h5-8,10H,9H2,1-4H3,(H,16,20)
InChIKeyAHGQVGKRXPHNJW-UHFFFAOYSA-N
XLogP1.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 16651616
N-(2,5-dichlorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 16651608
N-(2,4-dimethylphenyl)-5-(methoxymethyl)-1-phenyltriazole-4-carboxamide
CID 16651250
N-(1-ethoxy-3-methylbutan-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 86819205
methyl 1-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxylate
CID 94068970
N-(5-benzyl-1,3-thiazol-2-yl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 16651642
3-methyl-2-[[5-methyl-1-(4-methylphenyl)triazole-4-carbonyl]amino]butanoic acid
CID 119170359
N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 16651847
5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide
CID 16651694
1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 17014875
ethyl 2-[[1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 16651916
5-(methoxymethyl)-N-(2-methylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651695

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-(4-methylphenyl)-N-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 5-(methoxymethyl)-1-(4-methylphenyl)-N-propan-2-yltriazole-4-carboxamide (CID 16651675) is 5-(methoxymethyl)-1-(4-methylphenyl)-N-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-1-(4-methylphenyl)-N-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-1-(4-methylphenyl)-N-propan-2-yltriazole-4-carboxamide is COCc1c(C(=O)NC(C)C)nnn1-c1ccc(C)cc1.
What is the InChIKey of 5-(methoxymethyl)-1-(4-methylphenyl)-N-propan-2-yltriazole-4-carboxamide?
The InChIKey is AHGQVGKRXPHNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)16-15(20)14-13(9-21-4)19(18-17-14)12-7-5-11(3)6-8-12/h5-8,10H,9H2,1-4H3,(H,16,20).
What are the key properties of 5-(methoxymethyl)-1-(4-methylphenyl)-N-propan-2-yltriazole-4-carboxamide?
5-(methoxymethyl)-1-(4-methylphenyl)-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-(4-methylphenyl)-N-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 16651675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).