5-cyclopropyl-3-[[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-1,2,4-oxadiazole

C15H18N6OS — CID 129312701

IUPAC5-cyclopropyl-3-[[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESc1cncc(CN2CN=C(SCc3noc(C4CC4)n3)NC2)c1
InChIInChI=1S/C15H18N6OS/c1-2-11(6-16-5-1)7-21-9-17-15(18-10-21)23-8-13-19-14(22-20-13)12-3-4-12/h1-2,5-6,12H,3-4,7-10H2,(H,17,18)
InChIKeyBQSLKDQOPLWFAD-UHFFFAOYSA-N
MW330.42 g/mol
LogP1.95
Rot. Bonds5

About 5-cyclopropyl-3-[[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-1,2,4-oxadiazole

5-cyclopropyl-3-[[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 129312701) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID129312701
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name5-cyclopropyl-3-[[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESc1cncc(CN2CN=C(SCc3noc(C4CC4)n3)NC2)c1
InChIInChI=1S/C15H18N6OS/c1-2-11(6-16-5-1)7-21-9-17-15(18-10-21)23-8-13-19-14(22-20-13)12-3-4-12/h1-2,5-6,12H,3-4,7-10H2,(H,17,18)
InChIKeyBQSLKDQOPLWFAD-UHFFFAOYSA-N
XLogP1.95
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-cyclopropyl-3-[[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine
CID 129275084
6-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine;hydrochloride
CID 2824033
6-[(2,4-dichlorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine
CID 129312296
3-benzyl-5-[1-(pyridin-3-ylmethyl)azetidin-3-yl]-1,2,4-oxadiazole;oxalic acid
CID 71783714
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 75438087
(3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97280706
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-3-amine
CID 54959927
3-(4-methylphenyl)-5-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 95830116
(3R)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97276315
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95849653
5-(2-methylpyrrolidin-3-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 79372126
(3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-3-amine
CID 129461449

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-1,2,4-oxadiazole (CID 129312701) is 5-cyclopropyl-3-[[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-1,2,4-oxadiazole is c1cncc(CN2CN=C(SCc3noc(C4CC4)n3)NC2)c1.
What is the InChIKey of 5-cyclopropyl-3-[[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is BQSLKDQOPLWFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-2-11(6-16-5-1)7-21-9-17-15(18-10-21)23-8-13-19-14(22-20-13)12-3-4-12/h1-2,5-6,12H,3-4,7-10H2,(H,17,18).
What are the key properties of 5-cyclopropyl-3-[[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 330.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 129312701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).