1-cyclobutyl-4-[(2,4-dimethyl-3-pyridinyl)methyl]tetrazol-5-one

C13H17N5O — CID 166304722

IUPAC1-cyclobutyl-4-[(2,4-dimethyl-3-pyridinyl)methyl]tetrazol-5-one
SMILESCc1ccnc(C)c1Cn1nnn(C2CCC2)c1=O
InChIInChI=1S/C13H17N5O/c1-9-6-7-14-10(2)12(9)8-17-13(19)18(16-15-17)11-4-3-5-11/h6-7,11H,3-5,8H2,1-2H3
InChIKeyDTVKEZIEONATBY-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.22
Rot. Bonds3

About 1-cyclobutyl-4-[(2,4-dimethyl-3-pyridinyl)methyl]tetrazol-5-one

1-cyclobutyl-4-[(2,4-dimethyl-3-pyridinyl)methyl]tetrazol-5-one (PubChem CID 166304722) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-cyclobutyl-4-[(2,4-dimethyl-3-pyridinyl)methyl]tetrazol-5-one.

Molecular Properties

Compound Name1-cyclobutyl-4-[(2,4-dimethyl-3-pyridinyl)methyl]tetrazol-5-one
PubChem CID166304722
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-cyclobutyl-4-[(2,4-dimethyl-3-pyridinyl)methyl]tetrazol-5-one
SMILESCc1ccnc(C)c1Cn1nnn(C2CCC2)c1=O
InChIInChI=1S/C13H17N5O/c1-9-6-7-14-10(2)12(9)8-17-13(19)18(16-15-17)11-4-3-5-11/h6-7,11H,3-5,8H2,1-2H3
InChIKeyDTVKEZIEONATBY-UHFFFAOYSA-N
XLogP1.22
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[(2,4-dimethyl-3-pyridinyl)methyl]tetrazol-5-one?
The IUPAC name of 1-cyclobutyl-4-[(2,4-dimethyl-3-pyridinyl)methyl]tetrazol-5-one (CID 166304722) is 1-cyclobutyl-4-[(2,4-dimethyl-3-pyridinyl)methyl]tetrazol-5-one.
What is the SMILES notation for 1-cyclobutyl-4-[(2,4-dimethyl-3-pyridinyl)methyl]tetrazol-5-one?
The canonical SMILES for 1-cyclobutyl-4-[(2,4-dimethyl-3-pyridinyl)methyl]tetrazol-5-one is Cc1ccnc(C)c1Cn1nnn(C2CCC2)c1=O.
What is the InChIKey of 1-cyclobutyl-4-[(2,4-dimethyl-3-pyridinyl)methyl]tetrazol-5-one?
The InChIKey is DTVKEZIEONATBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-6-7-14-10(2)12(9)8-17-13(19)18(16-15-17)11-4-3-5-11/h6-7,11H,3-5,8H2,1-2H3.
What are the key properties of 1-cyclobutyl-4-[(2,4-dimethyl-3-pyridinyl)methyl]tetrazol-5-one?
1-cyclobutyl-4-[(2,4-dimethyl-3-pyridinyl)methyl]tetrazol-5-one has a molecular weight of 259.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-[(2,4-dimethyl-3-pyridinyl)methyl]tetrazol-5-one is sourced from PubChem (CID 166304722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).