1-cyclobutyl-4-(2-pyridin-2-ylethyl)tetrazol-5-one

C12H15N5O — CID 166283609

IUPAC1-cyclobutyl-4-(2-pyridin-2-ylethyl)tetrazol-5-one
SMILESO=c1n(CCc2ccccn2)nnn1C1CCC1
InChIInChI=1S/C12H15N5O/c18-12-16(9-7-10-4-1-2-8-13-10)14-15-17(12)11-5-3-6-11/h1-2,4,8,11H,3,5-7,9H2
InChIKeyUCWQSLNDKYYXCS-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.80
Rot. Bonds4

About 1-cyclobutyl-4-(2-pyridin-2-ylethyl)tetrazol-5-one

1-cyclobutyl-4-(2-pyridin-2-ylethyl)tetrazol-5-one (PubChem CID 166283609) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-cyclobutyl-4-(2-pyridin-2-ylethyl)tetrazol-5-one.

Molecular Properties

Compound Name1-cyclobutyl-4-(2-pyridin-2-ylethyl)tetrazol-5-one
PubChem CID166283609
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-cyclobutyl-4-(2-pyridin-2-ylethyl)tetrazol-5-one
SMILESO=c1n(CCc2ccccn2)nnn1C1CCC1
InChIInChI=1S/C12H15N5O/c18-12-16(9-7-10-4-1-2-8-13-10)14-15-17(12)11-5-3-6-11/h1-2,4,8,11H,3,5-7,9H2
InChIKeyUCWQSLNDKYYXCS-UHFFFAOYSA-N
XLogP0.80
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
1-methyl-3-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]imidazolidin-2-one
CID 56781047
1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]ethanone
CID 63845672
1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde
CID 62656596
N-cyclopentyl-1-(2-pyridin-2-ylethyl)imidazol-2-amine
CID 106554398
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
1-[(2R)-2-[(2S)-1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95613097
1-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidin-2-one
CID 66000463
2-[1-(2-pyridin-2-ylethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339128
1-amino-3-(2-pyridin-2-ylethyl)-1,3-diazinan-2-one
CID 104601207
1-cyclopentyl-3-(2-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
CID 43637482

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-(2-pyridin-2-ylethyl)tetrazol-5-one?
The IUPAC name of 1-cyclobutyl-4-(2-pyridin-2-ylethyl)tetrazol-5-one (CID 166283609) is 1-cyclobutyl-4-(2-pyridin-2-ylethyl)tetrazol-5-one.
What is the SMILES notation for 1-cyclobutyl-4-(2-pyridin-2-ylethyl)tetrazol-5-one?
The canonical SMILES for 1-cyclobutyl-4-(2-pyridin-2-ylethyl)tetrazol-5-one is O=c1n(CCc2ccccn2)nnn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-4-(2-pyridin-2-ylethyl)tetrazol-5-one?
The InChIKey is UCWQSLNDKYYXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c18-12-16(9-7-10-4-1-2-8-13-10)14-15-17(12)11-5-3-6-11/h1-2,4,8,11H,3,5-7,9H2.
What are the key properties of 1-cyclobutyl-4-(2-pyridin-2-ylethyl)tetrazol-5-one?
1-cyclobutyl-4-(2-pyridin-2-ylethyl)tetrazol-5-one has a molecular weight of 245.29 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-(2-pyridin-2-ylethyl)tetrazol-5-one is sourced from PubChem (CID 166283609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).