2-methyl-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide

C10H19N5O2S — CID 62884386

IUPAC2-methyl-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide
SMILESCCCNC(C)(CSc1n[nH]c(=O)n1C)C(N)=O
InChIInChI=1S/C10H19N5O2S/c1-4-5-12-10(2,7(11)16)6-18-9-14-13-8(17)15(9)3/h12H,4-6H2,1-3H3,(H2,11,16)(H,13,17)
InChIKeyOWRPPDNJTZHDDF-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.56
Rot. Bonds7

About 2-methyl-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide

2-methyl-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide (PubChem CID 62884386) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-methyl-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide.

Molecular Properties

Compound Name2-methyl-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide
PubChem CID62884386
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name2-methyl-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide
SMILESCCCNC(C)(CSc1n[nH]c(=O)n1C)C(N)=O
InChIInChI=1S/C10H19N5O2S/c1-4-5-12-10(2,7(11)16)6-18-9-14-13-8(17)15(9)3/h12H,4-6H2,1-3H3,(H2,11,16)(H,13,17)
InChIKeyOWRPPDNJTZHDDF-UHFFFAOYSA-N
XLogP-0.56
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide?
The IUPAC name of 2-methyl-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide (CID 62884386) is 2-methyl-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide.
What is the SMILES notation for 2-methyl-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide?
The canonical SMILES for 2-methyl-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide is CCCNC(C)(CSc1n[nH]c(=O)n1C)C(N)=O.
What is the InChIKey of 2-methyl-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide?
The InChIKey is OWRPPDNJTZHDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-4-5-12-10(2,7(11)16)6-18-9-14-13-8(17)15(9)3/h12H,4-6H2,1-3H3,(H2,11,16)(H,13,17).
What are the key properties of 2-methyl-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide?
2-methyl-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide has a molecular weight of 273.36 g/mol, XLogP of -0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanamide is sourced from PubChem (CID 62884386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).