4-chloro-5-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one

C16H13ClF3N7O2S — CID 24508507

IUPAC4-chloro-5-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Sc2nnnn2CC2CCCO2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H13ClF3N7O2S/c17-13-11(30-15-23-24-25-26(15)8-10-2-1-5-29-10)7-22-27(14(13)28)12-4-3-9(6-21-12)16(18,19)20/h3-4,6-7,10H,1-2,5,8H2
InChIKeyJHOCKXWBPJHNLD-UHFFFAOYSA-N
MW459.84 g/mol
LogP2.62
Rot. Bonds5

About 4-chloro-5-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one

4-chloro-5-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one (PubChem CID 24508507) has the molecular formula C16H13ClF3N7O2S and a molecular weight of 459.84 g/mol. Its IUPAC name is 4-chloro-5-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
PubChem CID24508507
Molecular FormulaC16H13ClF3N7O2S
Molecular Weight459.84 g/mol
Exact Mass459.05
IUPAC Name4-chloro-5-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
SMILESO=c1c(Cl)c(Sc2nnnn2CC2CCCO2)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H13ClF3N7O2S/c17-13-11(30-15-23-24-25-26(15)8-10-2-1-5-29-10)7-22-27(14(13)28)12-4-3-9(6-21-12)16(18,19)20/h3-4,6-7,10H,1-2,5,8H2
InChIKeyJHOCKXWBPJHNLD-UHFFFAOYSA-N
XLogP2.62
TPSA100.61 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.84
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-chloro-5-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one with MolForge

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Related Compounds

4-chloro-5-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 24508260
4-chloro-5-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 60507259
5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1-(oxolan-2-ylmethyl)tetrazole
CID 24508487
5-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-chloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 24564638
4-chloro-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 24623564
4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 7064019
5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine
CID 16605629
4-chloro-5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 167755249
2-fluoro-6-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbenzonitrile
CID 51322515
5-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 74627392
5-chloro-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 75498623
5-(3-chloroprop-2-enylsulfanyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 72691656

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The IUPAC name of 4-chloro-5-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one (CID 24508507) is 4-chloro-5-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one is O=c1c(Cl)c(Sc2nnnn2CC2CCCO2)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4-chloro-5-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
The InChIKey is JHOCKXWBPJHNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N7O2S/c17-13-11(30-15-23-24-25-26(15)8-10-2-1-5-29-10)7-22-27(14(13)28)12-4-3-9(6-21-12)16(18,19)20/h3-4,6-7,10H,1-2,5,8H2.
What are the key properties of 4-chloro-5-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one?
4-chloro-5-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one has a molecular weight of 459.84 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one is sourced from PubChem (CID 24508507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).