N-cyclopropyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide

C21H20N4OS — CID 17485885

IUPACN-cyclopropyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide
SMILESCC(Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)NC1CC1
InChIInChI=1S/C21H20N4OS/c1-14(20(26)22-17-12-13-17)27-21-23-18(15-8-4-2-5-9-15)19(24-25-21)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,22,26)
InChIKeyYMBZEAXNTUDMNS-UHFFFAOYSA-N
MW376.49 g/mol
LogP3.96
Rot. Bonds6

About N-cyclopropyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide

N-cyclopropyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide (PubChem CID 17485885) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide
PubChem CID17485885
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC NameN-cyclopropyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide
SMILESCC(Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)NC1CC1
InChIInChI=1S/C21H20N4OS/c1-14(20(26)22-17-12-13-17)27-21-23-18(15-8-4-2-5-9-15)19(24-25-21)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,22,26)
InChIKeyYMBZEAXNTUDMNS-UHFFFAOYSA-N
XLogP3.96
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 41252869
N-methyl-2-[(5-phenyl-6-thiophen-3-yl-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 169103848
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(ethylcarbamoyl)propanamide
CID 6412408
3-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanoylamino]benzoic acid
CID 23998326
(2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 41133228
(2S)-N-cyclopropyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7459294
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-methylpropanamide
CID 41252887
(2R)-2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-carbamoylpropanamide
CID 7351654
N-cycloheptyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 6408902
(2S)-N-cyclopropyl-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 40659784
(2S)-N-cyclopropyl-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7420528
(2R)-2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 41105471

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide?
The IUPAC name of N-cyclopropyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide (CID 17485885) is N-cyclopropyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide is CC(Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide?
The InChIKey is YMBZEAXNTUDMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-14(20(26)22-17-12-13-17)27-21-23-18(15-8-4-2-5-9-15)19(24-25-21)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,22,26).
What are the key properties of N-cyclopropyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide?
N-cyclopropyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide has a molecular weight of 376.49 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 17485885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).