5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one

C17H18ClN7O2 — CID 168818831

IUPAC5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
SMILESCOCc1ncccc1Cn1nnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C17H18ClN7O2/c1-27-10-13-11(3-2-5-19-13)8-25-14-4-6-24(9-12(14)21-23-25)15-7-20-22-17(26)16(15)18/h2-3,5,7H,4,6,8-10H2,1H3,(H,22,26)
InChIKeyCMSLBEIZSSPXJZ-UHFFFAOYSA-N
MW387.83 g/mol
LogP1.17
Rot. Bonds5

About 5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one

5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one (PubChem CID 168818831) has the molecular formula C17H18ClN7O2 and a molecular weight of 387.83 g/mol. Its IUPAC name is 5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
PubChem CID168818831
Molecular FormulaC17H18ClN7O2
Molecular Weight387.83 g/mol
Exact Mass387.12
IUPAC Name5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
SMILESCOCc1ncccc1Cn1nnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C17H18ClN7O2/c1-27-10-13-11(3-2-5-19-13)8-25-14-4-6-24(9-12(14)21-23-25)15-7-20-22-17(26)16(15)18/h2-3,5,7H,4,6,8-10H2,1H3,(H,22,26)
InChIKeyCMSLBEIZSSPXJZ-UHFFFAOYSA-N
XLogP1.17
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one (CID 168818831) is 5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one is COCc1ncccc1Cn1nnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The InChIKey is CMSLBEIZSSPXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN7O2/c1-27-10-13-11(3-2-5-19-13)8-25-14-4-6-24(9-12(14)21-23-25)15-7-20-22-17(26)16(15)18/h2-3,5,7H,4,6,8-10H2,1H3,(H,22,26).
What are the key properties of 5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one has a molecular weight of 387.83 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 168818831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).