5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide

C19H20N4O2 — CID 16651694

IUPAC5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide
SMILESCOCc1c(C(=O)Nc2cccc(C)c2)nnn1-c1cccc(C)c1
InChIInChI=1S/C19H20N4O2/c1-13-6-4-8-15(10-13)20-19(24)18-17(12-25-3)23(22-21-18)16-9-5-7-14(2)11-16/h4-11H,12H2,1-3H3,(H,20,24)
InChIKeyIBIHDTKLPQEDIH-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.28
Rot. Bonds5

About 5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide

5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide (PubChem CID 16651694) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide
PubChem CID16651694
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide
SMILESCOCc1c(C(=O)Nc2cccc(C)c2)nnn1-c1cccc(C)c1
InChIInChI=1S/C19H20N4O2/c1-13-6-4-8-15(10-13)20-19(24)18-17(12-25-3)23(22-21-18)16-9-5-7-14(2)11-16/h4-11H,12H2,1-3H3,(H,20,24)
InChIKeyIBIHDTKLPQEDIH-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methoxymethyl)-N-(3-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651697
5-(methoxymethyl)-N-(2-methylphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651695
N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651724
N-(5-acetyl-2-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651776
N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651720
1-(3,5-dimethylphenyl)-N-(4-fluorophenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 17014875
N-(2,4-dimethylphenyl)-5-(methoxymethyl)-1-phenyltriazole-4-carboxamide
CID 16651250
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-5-methyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55887228
5-(methoxymethyl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-phenyltriazole-4-carboxamide
CID 16651287
N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide
CID 16651444
5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carbaldehyde
CID 82198022
5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 15944215

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide (CID 16651694) is 5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide is COCc1c(C(=O)Nc2cccc(C)c2)nnn1-c1cccc(C)c1.
What is the InChIKey of 5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide?
The InChIKey is IBIHDTKLPQEDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-6-4-8-15(10-13)20-19(24)18-17(12-25-3)23(22-21-18)16-9-5-7-14(2)11-16/h4-11H,12H2,1-3H3,(H,20,24).
What are the key properties of 5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide?
5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N,1-bis(3-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 16651694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).