3-(4-ethylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C14H18N4O — CID 75461603

IUPAC3-(4-ethylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCCc1ccc(CCC(=O)NCc2ncn[nH]2)cc1
InChIInChI=1S/C14H18N4O/c1-2-11-3-5-12(6-4-11)7-8-14(19)15-9-13-16-10-17-18-13/h3-6,10H,2,7-9H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyCUOIADUPLJPBLH-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.62
Rot. Bonds6

About 3-(4-ethylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

3-(4-ethylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 75461603) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID75461603
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(4-ethylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCCc1ccc(CCC(=O)NCc2ncn[nH]2)cc1
InChIInChI=1S/C14H18N4O/c1-2-11-3-5-12(6-4-11)7-8-14(19)15-9-13-16-10-17-18-13/h3-6,10H,2,7-9H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyCUOIADUPLJPBLH-UHFFFAOYSA-N
XLogP1.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 75461603) is 3-(4-ethylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is CCc1ccc(CCC(=O)NCc2ncn[nH]2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is CUOIADUPLJPBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-11-3-5-12(6-4-11)7-8-14(19)15-9-13-16-10-17-18-13/h3-6,10H,2,7-9H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of 3-(4-ethylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
3-(4-ethylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 258.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 75461603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).