[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone

C14H18N6O2 — CID 131657777

IUPAC[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone
SMILESCCn1nnc2c1C(COC)CN(C(=O)c1ccnnc1)C2
InChIInChI=1S/C14H18N6O2/c1-3-20-13-11(9-22-2)7-19(8-12(13)17-18-20)14(21)10-4-5-15-16-6-10/h4-6,11H,3,7-9H2,1-2H3
InChIKeyIMPLNRCIFORREY-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.47
Rot. Bonds4

About [1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone

[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone (PubChem CID 131657777) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is [1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone
PubChem CID131657777
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone
SMILESCCn1nnc2c1C(COC)CN(C(=O)c1ccnnc1)C2
InChIInChI=1S/C14H18N6O2/c1-3-20-13-11(9-22-2)7-19(8-12(13)17-18-20)14(21)10-4-5-15-16-6-10/h4-6,11H,3,7-9H2,1-2H3
InChIKeyIMPLNRCIFORREY-UHFFFAOYSA-N
XLogP0.47
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(E)-1-[(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 97368988
[7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 131649972
furan-2-yl-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 97383259
[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 131659554
[(7S)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone
CID 97468368
[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(3-fluorophenyl)methanone
CID 131658305
[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(6-methyl-2-pyridinyl)methanone
CID 97383270
[(7R)-1-(cyclopropylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 97369042
[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-4-ylmethanone
CID 97382674
[(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-2-yl)methanone
CID 97382796
[(7R)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-(furan-2-yl)methanone
CID 97382797
[(7S)-1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 97468451

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone (CID 131657777) is [1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone is CCn1nnc2c1C(COC)CN(C(=O)c1ccnnc1)C2.
What is the InChIKey of [1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone?
The InChIKey is IMPLNRCIFORREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-3-20-13-11(9-22-2)7-19(8-12(13)17-18-20)14(21)10-4-5-15-16-6-10/h4-6,11H,3,7-9H2,1-2H3.
What are the key properties of [1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone?
[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone has a molecular weight of 302.34 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 131657777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).