3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide

C13H16N4O — CID 112535330

IUPAC3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1cnn(C)n1
InChIInChI=1S/C13H16N4O/c1-10-5-3-4-6-11(10)7-8-13(18)15-12-9-14-17(2)16-12/h3-6,9H,7-8H2,1-2H3,(H,15,16,18)
InChIKeySWLGOJKDFCTPPO-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.69
Rot. Bonds4

About 3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide

3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide (PubChem CID 112535330) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide
PubChem CID112535330
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1cnn(C)n1
InChIInChI=1S/C13H16N4O/c1-10-5-3-4-6-11(10)7-8-13(18)15-12-9-14-17(2)16-12/h3-6,9H,7-8H2,1-2H3,(H,15,16,18)
InChIKeySWLGOJKDFCTPPO-UHFFFAOYSA-N
XLogP1.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(2-methylphenyl)propanoylamino]triazol-2-yl]acetic acid
CID 112534468
2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230672
N-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide
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N-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide
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N-(6-amino-3-pyridinyl)-3-(2-methylphenyl)propanamide
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CID 103819476
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide
CID 110732701
N-(5-amino-2-pyridinyl)-4-(2-methylphenyl)butanamide
CID 115273765
4-[3-(2-methylphenyl)propanoylamino]pyridine-2-carboxylic acid
CID 63651301
N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
CID 94268169
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide?
The IUPAC name of 3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide (CID 112535330) is 3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide?
The canonical SMILES for 3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide is Cc1ccccc1CCC(=O)Nc1cnn(C)n1.
What is the InChIKey of 3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide?
The InChIKey is SWLGOJKDFCTPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-5-3-4-6-11(10)7-8-13(18)15-12-9-14-17(2)16-12/h3-6,9H,7-8H2,1-2H3,(H,15,16,18).
What are the key properties of 3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide?
3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide has a molecular weight of 244.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide is sourced from PubChem (CID 112535330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).