2-methyl-5-propyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione

C10H15N3O2 — CID 20726637

IUPAC2-methyl-5-propyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
SMILESCCCC1C=CCn2c(=O)n(C)c(=O)n21
InChIInChI=1S/C10H15N3O2/c1-3-5-8-6-4-7-12-9(14)11(2)10(15)13(8)12/h4,6,8H,3,5,7H2,1-2H3
InChIKeyDQCKCPMIYYNQSL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.26
Rot. Bonds2

About 2-methyl-5-propyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione

2-methyl-5-propyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione (PubChem CID 20726637) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-5-propyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-propyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
PubChem CID20726637
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-methyl-5-propyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
SMILESCCCC1C=CCn2c(=O)n(C)c(=O)n21
InChIInChI=1S/C10H15N3O2/c1-3-5-8-6-4-7-12-9(14)11(2)10(15)13(8)12/h4,6,8H,3,5,7H2,1-2H3
InChIKeyDQCKCPMIYYNQSL-UHFFFAOYSA-N
XLogP0.26
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5,8-Methano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,8-dihydro-2-methyl-
CID 548811
(5s,8s)-2-methyl-5,8-dihydro-1H-5,8-etheno[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione
CID 135034992
5-Ethyl-2-fluoro-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
CID 164571588
CID 174021481
CID 174021481
CID 174021484
CID 174021484
5-Ethyl-2-methyl-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione
CID 597152
4-Methyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 14764684
1-((1S,6S)-cyclohexa-2,4-dien-1-yl-1,2,3,4,5,6-d6)-2,4-dimethyl-1,2,4-triazolidine-3,5-dione
CID 163304613
(S)-1-(cyclohexa-2,4-dien-1-yl)-2,4-dimethyl-1,2,4-triazolidine-3,5-dione
CID 163304623
1-[(1R)-cyclohexa-2,4-dien-1-yl]-2,4-dimethyl-1,2,4-triazolidine-3,5-dione
CID 177854195
(5S,8R)-2,5,8-trimethyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
CID 91753988
(5S,8S)-2,5,8-trimethyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
CID 91753989

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione?
The IUPAC name of 2-methyl-5-propyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione (CID 20726637) is 2-methyl-5-propyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione.
What is the SMILES notation for 2-methyl-5-propyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione?
The canonical SMILES for 2-methyl-5-propyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione is CCCC1C=CCn2c(=O)n(C)c(=O)n21.
What is the InChIKey of 2-methyl-5-propyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione?
The InChIKey is DQCKCPMIYYNQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-5-8-6-4-7-12-9(14)11(2)10(15)13(8)12/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of 2-methyl-5-propyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione?
2-methyl-5-propyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione has a molecular weight of 209.25 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione is sourced from PubChem (CID 20726637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).