5-methyl-2-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyrimidin-6-one

C12H10N6O — CID 118316426

IUPAC5-methyl-2-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyrimidin-6-one
SMILESCc1cnc(-c2cccc(-c3nn[nH]n3)c2)[nH]c1=O
InChIInChI=1S/C12H10N6O/c1-7-6-13-10(14-12(7)19)8-3-2-4-9(5-8)11-15-17-18-16-11/h2-6H,1H3,(H,13,14,19)(H,15,16,17,18)
InChIKeyYGYAGYYUBZRMJV-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.93
Rot. Bonds2

About 5-methyl-2-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyrimidin-6-one

5-methyl-2-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyrimidin-6-one (PubChem CID 118316426) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-methyl-2-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyrimidin-6-one
PubChem CID118316426
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name5-methyl-2-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyrimidin-6-one
SMILESCc1cnc(-c2cccc(-c3nn[nH]n3)c2)[nH]c1=O
InChIInChI=1S/C12H10N6O/c1-7-6-13-10(14-12(7)19)8-3-2-4-9(5-8)11-15-17-18-16-11/h2-6H,1H3,(H,13,14,19)(H,15,16,17,18)
InChIKeyYGYAGYYUBZRMJV-UHFFFAOYSA-N
XLogP0.93
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyrimidin-6-one (CID 118316426) is 5-methyl-2-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyrimidin-6-one is Cc1cnc(-c2cccc(-c3nn[nH]n3)c2)[nH]c1=O.
What is the InChIKey of 5-methyl-2-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyrimidin-6-one?
The InChIKey is YGYAGYYUBZRMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c1-7-6-13-10(14-12(7)19)8-3-2-4-9(5-8)11-15-17-18-16-11/h2-6H,1H3,(H,13,14,19)(H,15,16,17,18).
What are the key properties of 5-methyl-2-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyrimidin-6-one?
5-methyl-2-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyrimidin-6-one has a molecular weight of 254.25 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 118316426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).