6-chloro-2-[[5-cyclopropyl-2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]pyridazin-3-one

C17H16ClN5O2 — CID 50951813

IUPAC6-chloro-2-[[5-cyclopropyl-2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]pyridazin-3-one
SMILESCOc1ccccc1-n1nc(C2CC2)nc1Cn1nc(Cl)ccc1=O
InChIInChI=1S/C17H16ClN5O2/c1-25-13-5-3-2-4-12(13)23-15(19-17(21-23)11-6-7-11)10-22-16(24)9-8-14(18)20-22/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyBEDVFIGFTSRYBS-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.41
Rot. Bonds5

About 6-chloro-2-[[5-cyclopropyl-2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]pyridazin-3-one

6-chloro-2-[[5-cyclopropyl-2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]pyridazin-3-one (PubChem CID 50951813) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 6-chloro-2-[[5-cyclopropyl-2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-[[5-cyclopropyl-2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]pyridazin-3-one
PubChem CID50951813
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name6-chloro-2-[[5-cyclopropyl-2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]pyridazin-3-one
SMILESCOc1ccccc1-n1nc(C2CC2)nc1Cn1nc(Cl)ccc1=O
InChIInChI=1S/C17H16ClN5O2/c1-25-13-5-3-2-4-12(13)23-15(19-17(21-23)11-6-7-11)10-22-16(24)9-8-14(18)20-22/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyBEDVFIGFTSRYBS-UHFFFAOYSA-N
XLogP2.41
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-chloro-2-[[5-cyclopropyl-2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-cyclopropyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole
CID 74244541
6-cyclopropyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122160611
1-[[2-(3-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]-4-ethylpiperazine
CID 131893890
3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole
CID 4575566
5-(1,3-benzodioxol-5-yl)-1-(2-methoxyphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-triazole
CID 97453210
[2-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 50949058
5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole
CID 66021210
3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one
CID 50983362
2-cyclopropyl-7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20939048
2-benzyl-6-chloropyridazin-3-one;2-benzyl-6-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazin-3-one;5,6-dimethoxypyridin-2-amine
CID 160937053
5-hydroxy-6-(hydroxymethyl)-2-(2-methoxyphenyl)pyridazin-3-one
CID 82419462
4-chloro-2-cyclopropyl-6-(2,6-dimethoxyphenoxy)pyrimidine
CID 80944786

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[5-cyclopropyl-2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-chloro-2-[[5-cyclopropyl-2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]pyridazin-3-one (CID 50951813) is 6-chloro-2-[[5-cyclopropyl-2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-[[5-cyclopropyl-2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-chloro-2-[[5-cyclopropyl-2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]pyridazin-3-one is COc1ccccc1-n1nc(C2CC2)nc1Cn1nc(Cl)ccc1=O.
What is the InChIKey of 6-chloro-2-[[5-cyclopropyl-2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]pyridazin-3-one?
The InChIKey is BEDVFIGFTSRYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-25-13-5-3-2-4-12(13)23-15(19-17(21-23)11-6-7-11)10-22-16(24)9-8-14(18)20-22/h2-5,8-9,11H,6-7,10H2,1H3.
What are the key properties of 6-chloro-2-[[5-cyclopropyl-2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]pyridazin-3-one?
6-chloro-2-[[5-cyclopropyl-2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]pyridazin-3-one has a molecular weight of 357.80 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[5-cyclopropyl-2-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 50951813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).