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

C14H15N5O2 — CID 82202032

IUPAC2-(4-cyano-5-methyltriazol-1-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)n1nnc(C#N)c1C
InChIInChI=1S/C14H15N5O2/c1-9-12(8-15)17-18-19(9)10(2)14(20)16-11-6-4-5-7-13(11)21-3/h4-7,10H,1-3H3,(H,16,20)
InChIKeyGXOAAELDHKWPGN-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.67
Rot. Bonds4

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

2-(4-cyano-5-methyltriazol-1-yl)-N-(2-methoxyphenyl)propanamide (PubChem CID 82202032) 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-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(4-cyano-5-methyltriazol-1-yl)-N-(2-methoxyphenyl)propanamide
PubChem CID82202032
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-(4-cyano-5-methyltriazol-1-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)n1nnc(C#N)c1C
InChIInChI=1S/C14H15N5O2/c1-9-12(8-15)17-18-19(9)10(2)14(20)16-11-6-4-5-7-13(11)21-3/h4-7,10H,1-3H3,(H,16,20)
InChIKeyGXOAAELDHKWPGN-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-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 82202011
2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyphenyl)propanamide
CID 82202035
3-[1-(2-methoxyanilino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 82194764
1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea
CID 60969499
3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
CID 82114035
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(2-methylphenyl)propanamide
CID 82201985
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 2787226
3-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid
CID 2627387
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 90517884

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-5-methyltriazol-1-yl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-(4-cyano-5-methyltriazol-1-yl)-N-(2-methoxyphenyl)propanamide (CID 82202032) is 2-(4-cyano-5-methyltriazol-1-yl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(4-cyano-5-methyltriazol-1-yl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-(4-cyano-5-methyltriazol-1-yl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)n1nnc(C#N)c1C.
What is the InChIKey of 2-(4-cyano-5-methyltriazol-1-yl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is GXOAAELDHKWPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-9-12(8-15)17-18-19(9)10(2)14(20)16-11-6-4-5-7-13(11)21-3/h4-7,10H,1-3H3,(H,16,20).
What are the key properties of 2-(4-cyano-5-methyltriazol-1-yl)-N-(2-methoxyphenyl)propanamide?
2-(4-cyano-5-methyltriazol-1-yl)-N-(2-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-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 82202032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).