1-(4-methylphenyl)-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C15H17N5O — CID 82365269

IUPAC1-(4-methylphenyl)-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCc1ccc(C(=O)CN2CCC=C(c3nn[nH]n3)C2)cc1
InChIInChI=1S/C15H17N5O/c1-11-4-6-12(7-5-11)14(21)10-20-8-2-3-13(9-20)15-16-18-19-17-15/h3-7H,2,8-10H2,1H3,(H,16,17,18,19)
InChIKeyJALMECZCLCGBJW-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.48
Rot. Bonds4

About 1-(4-methylphenyl)-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-(4-methylphenyl)-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 82365269) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID82365269
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name1-(4-methylphenyl)-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCc1ccc(C(=O)CN2CCC=C(c3nn[nH]n3)C2)cc1
InChIInChI=1S/C15H17N5O/c1-11-4-6-12(7-5-11)14(21)10-20-8-2-3-13(9-20)15-16-18-19-17-15/h3-7H,2,8-10H2,1H3,(H,16,17,18,19)
InChIKeyJALMECZCLCGBJW-UHFFFAOYSA-N
XLogP1.48
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-(4-methylphenyl)-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 82365269) is 1-(4-methylphenyl)-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is Cc1ccc(C(=O)CN2CCC=C(c3nn[nH]n3)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is JALMECZCLCGBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-4-6-12(7-5-11)14(21)10-20-8-2-3-13(9-20)15-16-18-19-17-15/h3-7H,2,8-10H2,1H3,(H,16,17,18,19).
What are the key properties of 1-(4-methylphenyl)-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-(4-methylphenyl)-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 283.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[5-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 82365269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).