3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyridin-2-one

C11H15N5O — CID 100671620

IUPAC3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyridin-2-one
SMILESCCCn1nnnc1Cn1cccc(C)c1=O
InChIInChI=1S/C11H15N5O/c1-3-6-16-10(12-13-14-16)8-15-7-4-5-9(2)11(15)17/h4-5,7H,3,6,8H2,1-2H3
InChIKeyXIUJKLUMEGEYGZ-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.60
Rot. Bonds4

About 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyridin-2-one

3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyridin-2-one (PubChem CID 100671620) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyridin-2-one
PubChem CID100671620
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyridin-2-one
SMILESCCCn1nnnc1Cn1cccc(C)c1=O
InChIInChI=1S/C11H15N5O/c1-3-6-16-10(12-13-14-16)8-15-7-4-5-9(2)11(15)17/h4-5,7H,3,6,8H2,1-2H3
InChIKeyXIUJKLUMEGEYGZ-UHFFFAOYSA-N
XLogP0.60
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyridin-2-one?
The IUPAC name of 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyridin-2-one (CID 100671620) is 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyridin-2-one is CCCn1nnnc1Cn1cccc(C)c1=O.
What is the InChIKey of 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyridin-2-one?
The InChIKey is XIUJKLUMEGEYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-6-16-10(12-13-14-16)8-15-7-4-5-9(2)11(15)17/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyridin-2-one?
3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyridin-2-one has a molecular weight of 233.28 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyridin-2-one is sourced from PubChem (CID 100671620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).