1-ethyl-3-methyl-7-pyridin-3-yl-6H-triazolo[1,5-b]pyridazin-5-one

C13H15N5O — CID 57142705

IUPAC1-ethyl-3-methyl-7-pyridin-3-yl-6H-triazolo[1,5-b]pyridazin-5-one
SMILESCCN1N=C(C)C2=CC(=O)CN(c3cccnc3)N21
InChIInChI=1S/C13H15N5O/c1-3-17-15-10(2)13-7-12(19)9-16(18(13)17)11-5-4-6-14-8-11/h4-8H,3,9H2,1-2H3
InChIKeyZNDIEAMHIPQPEN-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.20
Rot. Bonds2

About 1-ethyl-3-methyl-7-pyridin-3-yl-6H-triazolo[1,5-b]pyridazin-5-one

1-ethyl-3-methyl-7-pyridin-3-yl-6H-triazolo[1,5-b]pyridazin-5-one (PubChem CID 57142705) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-ethyl-3-methyl-7-pyridin-3-yl-6H-triazolo[1,5-b]pyridazin-5-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-7-pyridin-3-yl-6H-triazolo[1,5-b]pyridazin-5-one
PubChem CID57142705
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name1-ethyl-3-methyl-7-pyridin-3-yl-6H-triazolo[1,5-b]pyridazin-5-one
SMILESCCN1N=C(C)C2=CC(=O)CN(c3cccnc3)N21
InChIInChI=1S/C13H15N5O/c1-3-17-15-10(2)13-7-12(19)9-16(18(13)17)11-5-4-6-14-8-11/h4-8H,3,9H2,1-2H3
InChIKeyZNDIEAMHIPQPEN-UHFFFAOYSA-N
XLogP1.20
TPSA52.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-7-pyridin-3-yl-6H-triazolo[1,5-b]pyridazin-5-one?
The IUPAC name of 1-ethyl-3-methyl-7-pyridin-3-yl-6H-triazolo[1,5-b]pyridazin-5-one (CID 57142705) is 1-ethyl-3-methyl-7-pyridin-3-yl-6H-triazolo[1,5-b]pyridazin-5-one.
What is the SMILES notation for 1-ethyl-3-methyl-7-pyridin-3-yl-6H-triazolo[1,5-b]pyridazin-5-one?
The canonical SMILES for 1-ethyl-3-methyl-7-pyridin-3-yl-6H-triazolo[1,5-b]pyridazin-5-one is CCN1N=C(C)C2=CC(=O)CN(c3cccnc3)N21.
What is the InChIKey of 1-ethyl-3-methyl-7-pyridin-3-yl-6H-triazolo[1,5-b]pyridazin-5-one?
The InChIKey is ZNDIEAMHIPQPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-3-17-15-10(2)13-7-12(19)9-16(18(13)17)11-5-4-6-14-8-11/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-7-pyridin-3-yl-6H-triazolo[1,5-b]pyridazin-5-one?
1-ethyl-3-methyl-7-pyridin-3-yl-6H-triazolo[1,5-b]pyridazin-5-one has a molecular weight of 257.30 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-7-pyridin-3-yl-6H-triazolo[1,5-b]pyridazin-5-one is sourced from PubChem (CID 57142705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).