4-[(5-benzyltetrazol-2-yl)methyl]-1-methylpyridin-2-one

C15H15N5O — CID 155960924

IUPAC4-[(5-benzyltetrazol-2-yl)methyl]-1-methylpyridin-2-one
SMILESCn1ccc(Cn2nnc(Cc3ccccc3)n2)cc1=O
InChIInChI=1S/C15H15N5O/c1-19-8-7-13(10-15(19)21)11-20-17-14(16-18-20)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3
InChIKeyZCILWYUKLIPQJJ-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.01
Rot. Bonds4

About 4-[(5-benzyltetrazol-2-yl)methyl]-1-methylpyridin-2-one

4-[(5-benzyltetrazol-2-yl)methyl]-1-methylpyridin-2-one (PubChem CID 155960924) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-[(5-benzyltetrazol-2-yl)methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[(5-benzyltetrazol-2-yl)methyl]-1-methylpyridin-2-one
PubChem CID155960924
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-[(5-benzyltetrazol-2-yl)methyl]-1-methylpyridin-2-one
SMILESCn1ccc(Cn2nnc(Cc3ccccc3)n2)cc1=O
InChIInChI=1S/C15H15N5O/c1-19-8-7-13(10-15(19)21)11-20-17-14(16-18-20)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3
InChIKeyZCILWYUKLIPQJJ-UHFFFAOYSA-N
XLogP1.01
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-benzyltetrazol-2-yl)methyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[(5-benzyltetrazol-2-yl)methyl]-1-methylpyridin-2-one (CID 155960924) is 4-[(5-benzyltetrazol-2-yl)methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[(5-benzyltetrazol-2-yl)methyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[(5-benzyltetrazol-2-yl)methyl]-1-methylpyridin-2-one is Cn1ccc(Cn2nnc(Cc3ccccc3)n2)cc1=O.
What is the InChIKey of 4-[(5-benzyltetrazol-2-yl)methyl]-1-methylpyridin-2-one?
The InChIKey is ZCILWYUKLIPQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-19-8-7-13(10-15(19)21)11-20-17-14(16-18-20)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3.
What are the key properties of 4-[(5-benzyltetrazol-2-yl)methyl]-1-methylpyridin-2-one?
4-[(5-benzyltetrazol-2-yl)methyl]-1-methylpyridin-2-one has a molecular weight of 281.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-benzyltetrazol-2-yl)methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 155960924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).