3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide

C20H17N5O3S — CID 23917159

IUPAC3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCSc2nnc(-c3ccco3)c(-c3ccco3)n2)c1
InChIInChI=1S/C20H17N5O3S/c1-13-6-8-21-16(12-13)22-17(26)7-11-29-20-23-18(14-4-2-9-27-14)19(24-25-20)15-5-3-10-28-15/h2-6,8-10,12H,7,11H2,1H3,(H,21,22,26)
InChIKeyMUNUJWJUECELRV-UHFFFAOYSA-N
MW407.46 g/mol
LogP4.22
Rot. Bonds7

About 3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide

3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide (PubChem CID 23917159) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is 3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide
PubChem CID23917159
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC Name3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCSc2nnc(-c3ccco3)c(-c3ccco3)n2)c1
InChIInChI=1S/C20H17N5O3S/c1-13-6-8-21-16(12-13)22-17(26)7-11-29-20-23-18(14-4-2-9-27-14)19(24-25-20)15-5-3-10-28-15/h2-6,8-10,12H,7,11H2,1H3,(H,21,22,26)
InChIKeyMUNUJWJUECELRV-UHFFFAOYSA-N
XLogP4.22
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_6_furan(4)', 'substructure': 'N/A'}

Analyze 3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide 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

3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-fluorophenyl)propanamide
CID 23861404
3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25039877
ethyl 3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]propanoate
CID 6401510
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-methylacetamide
CID 6404295
3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide
CID 23973371
3-[2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]ethylsulfanyl]-5,6-bis(furan-2-yl)-1,2,4-triazine
CID 6413506
N-(4-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 1251693
3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 23745940
3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
CID 23889174
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-tert-butylacetamide
CID 6404306
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 6403909
3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-2-pyridinyl)propanamide
CID 23945444

Frequently Asked Questions

What is the IUPAC name of 3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide (CID 23917159) is 3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide is Cc1ccnc(NC(=O)CCSc2nnc(-c3ccco3)c(-c3ccco3)n2)c1.
What is the InChIKey of 3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide?
The InChIKey is MUNUJWJUECELRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c1-13-6-8-21-16(12-13)22-17(26)7-11-29-20-23-18(14-4-2-9-27-14)19(24-25-20)15-5-3-10-28-15/h2-6,8-10,12H,7,11H2,1H3,(H,21,22,26).
What are the key properties of 3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide?
3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide has a molecular weight of 407.46 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 23917159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).