2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3,5-triazine

C15H15N7OS — CID 166251968

IUPAC2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3,5-triazine
SMILESc1ccc(-c2ncnc(Sc3nnnn3CC3CCCO3)n2)cc1
InChIInChI=1S/C15H15N7OS/c1-2-5-11(6-3-1)13-16-10-17-14(18-13)24-15-19-20-21-22(15)9-12-7-4-8-23-12/h1-3,5-6,10,12H,4,7-9H2
InChIKeyBKPTXHBVJCYIHH-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.86
Rot. Bonds5

About 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3,5-triazine

2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3,5-triazine (PubChem CID 166251968) has the molecular formula C15H15N7OS and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3,5-triazine
PubChem CID166251968
Molecular FormulaC15H15N7OS
Molecular Weight341.40 g/mol
Exact Mass341.11
IUPAC Name2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3,5-triazine
SMILESc1ccc(-c2ncnc(Sc3nnnn3CC3CCCO3)n2)cc1
InChIInChI=1S/C15H15N7OS/c1-2-5-11(6-3-1)13-16-10-17-14(18-13)24-15-19-20-21-22(15)9-12-7-4-8-23-12/h1-3,5-6,10,12H,4,7-9H2
InChIKeyBKPTXHBVJCYIHH-UHFFFAOYSA-N
XLogP1.86
TPSA91.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-methoxy-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyrimidine
CID 75866971
N-benzyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46640571
5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole
CID 95691699
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 41139060
5-nitro-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpyridine
CID 16605629
1-benzyl-5-(oxolan-2-ylmethylsulfanyl)tetrazole
CID 47124186
[3-nitro-4-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylphenyl]-phenylmethanone
CID 24508498
2-fluoro-6-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbenzonitrile
CID 51322515
(2R)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)propanamide
CID 41119437
5-(3-chloroprop-2-enylsulfanyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 72691656
N-benzhydryl-N-methyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46672976
5-chloro-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 75498623

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3,5-triazine?
The IUPAC name of 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3,5-triazine (CID 166251968) is 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3,5-triazine is c1ccc(-c2ncnc(Sc3nnnn3CC3CCCO3)n2)cc1.
What is the InChIKey of 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3,5-triazine?
The InChIKey is BKPTXHBVJCYIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7OS/c1-2-5-11(6-3-1)13-16-10-17-14(18-13)24-15-19-20-21-22(15)9-12-7-4-8-23-12/h1-3,5-6,10,12H,4,7-9H2.
What are the key properties of 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3,5-triazine?
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3,5-triazine has a molecular weight of 341.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3,5-triazine is sourced from PubChem (CID 166251968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).