8-(piperidine-1-carbonyl)-3-propyl-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-4-one

C13H20N6O2 — CID 78235981

IUPAC8-(piperidine-1-carbonyl)-3-propyl-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESCCCN1NNc2c(C(=O)N3CCCCC3)ncn2C1=O
InChIInChI=1S/C13H20N6O2/c1-2-6-19-13(21)18-9-14-10(11(18)15-16-19)12(20)17-7-4-3-5-8-17/h9,15-16H,2-8H2,1H3
InChIKeyRTEZAKIXOIGTNA-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.03
Rot. Bonds3

About 8-(piperidine-1-carbonyl)-3-propyl-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-4-one

8-(piperidine-1-carbonyl)-3-propyl-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-4-one (PubChem CID 78235981) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 8-(piperidine-1-carbonyl)-3-propyl-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-4-one.

Molecular Properties

Compound Name8-(piperidine-1-carbonyl)-3-propyl-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-4-one
PubChem CID78235981
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name8-(piperidine-1-carbonyl)-3-propyl-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESCCCN1NNc2c(C(=O)N3CCCCC3)ncn2C1=O
InChIInChI=1S/C13H20N6O2/c1-2-6-19-13(21)18-9-14-10(11(18)15-16-19)12(20)17-7-4-3-5-8-17/h9,15-16H,2-8H2,1H3
InChIKeyRTEZAKIXOIGTNA-UHFFFAOYSA-N
XLogP1.03
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(piperidine-1-carbonyl)-3-propyl-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The IUPAC name of 8-(piperidine-1-carbonyl)-3-propyl-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-4-one (CID 78235981) is 8-(piperidine-1-carbonyl)-3-propyl-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-4-one.
What is the SMILES notation for 8-(piperidine-1-carbonyl)-3-propyl-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The canonical SMILES for 8-(piperidine-1-carbonyl)-3-propyl-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-4-one is CCCN1NNc2c(C(=O)N3CCCCC3)ncn2C1=O.
What is the InChIKey of 8-(piperidine-1-carbonyl)-3-propyl-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The InChIKey is RTEZAKIXOIGTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-2-6-19-13(21)18-9-14-10(11(18)15-16-19)12(20)17-7-4-3-5-8-17/h9,15-16H,2-8H2,1H3.
What are the key properties of 8-(piperidine-1-carbonyl)-3-propyl-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
8-(piperidine-1-carbonyl)-3-propyl-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-4-one has a molecular weight of 292.34 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(piperidine-1-carbonyl)-3-propyl-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-4-one is sourced from PubChem (CID 78235981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).