5-benzylsulfonyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine

C18H19N5O3S — CID 97405138

IUPAC5-benzylsulfonyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
SMILESO=S(=O)(Cc1ccccc1)N1CCn2nnc(COc3cccnc3)c2C1
InChIInChI=1S/C18H19N5O3S/c24-27(25,14-15-5-2-1-3-6-15)22-9-10-23-18(12-22)17(20-21-23)13-26-16-7-4-8-19-11-16/h1-8,11H,9-10,12-14H2
InChIKeyVPDBXJJKHZLKQZ-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.60
Rot. Bonds6

About 5-benzylsulfonyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine

5-benzylsulfonyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine (PubChem CID 97405138) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 5-benzylsulfonyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-benzylsulfonyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
PubChem CID97405138
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name5-benzylsulfonyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine
SMILESO=S(=O)(Cc1ccccc1)N1CCn2nnc(COc3cccnc3)c2C1
InChIInChI=1S/C18H19N5O3S/c24-27(25,14-15-5-2-1-3-6-15)22-9-10-23-18(12-22)17(20-21-23)13-26-16-7-4-8-19-11-16/h1-8,11H,9-10,12-14H2
InChIKeyVPDBXJJKHZLKQZ-UHFFFAOYSA-N
XLogP1.60
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

furan-2-yl-[3-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 97405226
1-benzylsulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 55627851
(1-methylpyrrol-2-yl)-[3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid
CID 118745173
3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine
CID 129381862
2-benzylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine
CID 166282081
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
3-(furan-3-ylmethoxy)pyridine
CID 112558860
4-benzylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 27516632
(4-benzylsulfonyl-1,4-diazepan-1-yl)-pyridin-3-ylmethanone
CID 110798876
3-(4-benzylsulfonylpiperazin-1-yl)pyridazine
CID 121060992
3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine
CID 90566210
2-iodo-4-(pyridin-3-yloxymethyl)benzoic acid
CID 23436563

Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfonyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine?
The IUPAC name of 5-benzylsulfonyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine (CID 97405138) is 5-benzylsulfonyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-benzylsulfonyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine?
The canonical SMILES for 5-benzylsulfonyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine is O=S(=O)(Cc1ccccc1)N1CCn2nnc(COc3cccnc3)c2C1.
What is the InChIKey of 5-benzylsulfonyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine?
The InChIKey is VPDBXJJKHZLKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c24-27(25,14-15-5-2-1-3-6-15)22-9-10-23-18(12-22)17(20-21-23)13-26-16-7-4-8-19-11-16/h1-8,11H,9-10,12-14H2.
What are the key properties of 5-benzylsulfonyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine?
5-benzylsulfonyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine has a molecular weight of 385.45 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfonyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-triazolo[1,5-a]pyrazine is sourced from PubChem (CID 97405138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).