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

C11H12F3N5O — CID 47020760

IUPAC1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCCCn1nnnc1Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C11H12F3N5O/c1-2-5-19-9(15-16-17-19)7-18-6-3-4-8(10(18)20)11(12,13)14/h3-4,6H,2,5,7H2,1H3
InChIKeyQEEALTUCYULLCX-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.31
Rot. Bonds4

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

1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 47020760) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID47020760
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCCCn1nnnc1Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C11H12F3N5O/c1-2-5-19-9(15-16-17-19)7-18-6-3-4-8(10(18)20)11(12,13)14/h3-4,6H,2,5,7H2,1H3
InChIKeyQEEALTUCYULLCX-UHFFFAOYSA-N
XLogP1.31
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one (CID 47020760) is 1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one is CCCn1nnnc1Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of 1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is QEEALTUCYULLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-2-5-19-9(15-16-17-19)7-18-6-3-4-8(10(18)20)11(12,13)14/h3-4,6H,2,5,7H2,1H3.
What are the key properties of 1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one?
1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 287.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propyltetrazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 47020760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).