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

C18H19ClN6O2 — CID 168818874

IUPAC5-chloro-4-[1-[[2-(methoxymethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
SMILESCOCc1ccccc1Cn1nnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C18H19ClN6O2/c1-27-11-13-5-3-2-4-12(13)9-25-15-6-7-24(10-14(15)21-23-25)16-8-20-22-18(26)17(16)19/h2-5,8H,6-7,9-11H2,1H3,(H,22,26)
InChIKeyRERMJBIOXJPBRH-UHFFFAOYSA-N
MW386.84 g/mol
LogP1.77
Rot. Bonds5

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

5-chloro-4-[1-[[2-(methoxymethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one (PubChem CID 168818874) has the molecular formula C18H19ClN6O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 5-chloro-4-[1-[[2-(methoxymethyl)phenyl]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)phenyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
PubChem CID168818874
Molecular FormulaC18H19ClN6O2
Molecular Weight386.84 g/mol
Exact Mass386.13
IUPAC Name5-chloro-4-[1-[[2-(methoxymethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
SMILESCOCc1ccccc1Cn1nnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C18H19ClN6O2/c1-27-11-13-5-3-2-4-12(13)9-25-15-6-7-24(10-14(15)21-23-25)16-8-20-22-18(26)17(16)19/h2-5,8H,6-7,9-11H2,1H3,(H,22,26)
InChIKeyRERMJBIOXJPBRH-UHFFFAOYSA-N
XLogP1.77
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[1-[[2-(methoxymethyl)phenyl]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)phenyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one (CID 168818874) is 5-chloro-4-[1-[[2-(methoxymethyl)phenyl]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)phenyl]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)phenyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one is COCc1ccccc1Cn1nnc2c1CCN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 5-chloro-4-[1-[[2-(methoxymethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
The InChIKey is RERMJBIOXJPBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2/c1-27-11-13-5-3-2-4-12(13)9-25-15-6-7-24(10-14(15)21-23-25)16-8-20-22-18(26)17(16)19/h2-5,8H,6-7,9-11H2,1H3,(H,22,26).
What are the key properties of 5-chloro-4-[1-[[2-(methoxymethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one?
5-chloro-4-[1-[[2-(methoxymethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one has a molecular weight of 386.84 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[1-[[2-(methoxymethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 168818874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).