2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide

C14H15N5O2 — CID 82202011

IUPAC2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)n2nnc(C#N)c2C)cc1
InChIInChI=1S/C14H15N5O2/c1-9-13(8-15)17-18-19(9)10(2)14(20)16-11-4-6-12(21-3)7-5-11/h4-7,10H,1-3H3,(H,16,20)
InChIKeyUEURMSQPUQOPQY-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.67
Rot. Bonds4

About 2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide

2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide (PubChem CID 82202011) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide
PubChem CID82202011
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)n2nnc(C#N)c2C)cc1
InChIInChI=1S/C14H15N5O2/c1-9-13(8-15)17-18-19(9)10(2)14(20)16-11-4-6-12(21-3)7-5-11/h4-7,10H,1-3H3,(H,16,20)
InChIKeyUEURMSQPUQOPQY-UHFFFAOYSA-N
XLogP1.67
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-formyl-5-methyltriazol-1-yl)-N-(4-methylphenyl)propanamide
CID 82201976
2-[5-(aminomethyl)triazol-1-yl]-N-(4-methoxyphenyl)propanamide
CID 82202016
N-(4-chlorophenyl)-2-(4-formyl-5-methyltriazol-1-yl)propanamide
CID 82202006
1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide
CID 82201974
(2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 26689476
2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(4-chlorophenyl)propanamide
CID 82202007
(2R)-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 28623322
3-[1-(4-methoxyanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid
CID 16611108
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 3803407
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide
CID 140781395
(2S)-N-(4-methoxyphenyl)-2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl]propanamide
CID 7746914

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide (CID 82202011) is 2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)n2nnc(C#N)c2C)cc1.
What is the InChIKey of 2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide?
The InChIKey is UEURMSQPUQOPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-9-13(8-15)17-18-19(9)10(2)14(20)16-11-4-6-12(21-3)7-5-11/h4-7,10H,1-3H3,(H,16,20).
What are the key properties of 2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide?
2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide has a molecular weight of 285.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 82202011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).