5,7-dimethyl-2-(2-pyridin-3-yloxan-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

C17H19N5OS — CID 126816883

IUPAC5,7-dimethyl-2-(2-pyridin-3-yloxan-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(SC3CCOC(c4cccnc4)C3)nc2n1
InChIInChI=1S/C17H19N5OS/c1-11-8-12(2)22-16(19-11)20-17(21-22)24-14-5-7-23-15(9-14)13-4-3-6-18-10-13/h3-4,6,8,10,14-15H,5,7,9H2,1-2H3
InChIKeyBJRVJLBPZZXSTB-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.15
Rot. Bonds3

About 5,7-dimethyl-2-(2-pyridin-3-yloxan-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-2-(2-pyridin-3-yloxan-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 126816883) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 5,7-dimethyl-2-(2-pyridin-3-yloxan-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-(2-pyridin-3-yloxan-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID126816883
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name5,7-dimethyl-2-(2-pyridin-3-yloxan-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(SC3CCOC(c4cccnc4)C3)nc2n1
InChIInChI=1S/C17H19N5OS/c1-11-8-12(2)22-16(19-11)20-17(21-22)24-14-5-7-23-15(9-14)13-4-3-6-18-10-13/h3-4,6,8,10,14-15H,5,7,9H2,1-2H3
InChIKeyBJRVJLBPZZXSTB-UHFFFAOYSA-N
XLogP3.15
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5,7-dimethyl-2-(2-pyridin-3-yloxan-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

5,7-dimethyl-2-(oxolan-3-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126803906
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 7640907
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728919
5,7-dimethyl-2-[(1S)-1-(oxan-4-yl)ethyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 125420451
4-[4-(3-methylphenyl)sulfanyloxan-2-yl]pyridine
CID 131962656
5,7-dimethyl-2-(pyridin-4-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 12915206
5,7-dimethyl-2-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 12915233
(3R)-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 124555163
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide
CID 25348894
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502442
5,7-dimethyl-2-[(2-pyridin-3-ylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 23909002
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethanone
CID 2587361

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(2-pyridin-3-yloxan-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-(2-pyridin-3-yloxan-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 126816883) is 5,7-dimethyl-2-(2-pyridin-3-yloxan-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-(2-pyridin-3-yloxan-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-(2-pyridin-3-yloxan-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(SC3CCOC(c4cccnc4)C3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-(2-pyridin-3-yloxan-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is BJRVJLBPZZXSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-11-8-12(2)22-16(19-11)20-17(21-22)24-14-5-7-23-15(9-14)13-4-3-6-18-10-13/h3-4,6,8,10,14-15H,5,7,9H2,1-2H3.
What are the key properties of 5,7-dimethyl-2-(2-pyridin-3-yloxan-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-(2-pyridin-3-yloxan-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 341.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(2-pyridin-3-yloxan-4-yl)sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 126816883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).