1,1-diethyl-3-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]urea

C11H21N5OS — CID 3232083

IUPAC1,1-diethyl-3-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCCN(CC)C(=O)NCCc1nnc(SC)n1C
InChIInChI=1S/C11H21N5OS/c1-5-16(6-2)10(17)12-8-7-9-13-14-11(18-4)15(9)3/h5-8H2,1-4H3,(H,12,17)
InChIKeyFKNZKYCZKGUNEI-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.13
Rot. Bonds6

About 1,1-diethyl-3-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]urea

1,1-diethyl-3-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 3232083) has the molecular formula C11H21N5OS and a molecular weight of 271.39 g/mol. Its IUPAC name is 1,1-diethyl-3-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID3232083
Molecular FormulaC11H21N5OS
Molecular Weight271.39 g/mol
Exact Mass271.15
IUPAC Name1,1-diethyl-3-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCCN(CC)C(=O)NCCc1nnc(SC)n1C
InChIInChI=1S/C11H21N5OS/c1-5-16(6-2)10(17)12-8-7-9-13-14-11(18-4)15(9)3/h5-8H2,1-4H3,(H,12,17)
InChIKeyFKNZKYCZKGUNEI-UHFFFAOYSA-N
XLogP1.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Cyclopropyl-2-(4-ethyl-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1451308
N-methyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1451343
2-(4-Ethyl-5-isopropyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-methyl-acetamide
CID 655295
N-Cyclopropyl-2-(4-methyl-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1451306
N-cyclopropyl-2-[(4,5-diethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6466218
2-(5-Isopropyl-4-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-methyl-acetamide
CID 648200
2-(4-Methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethanamine
CID 1448424
N-[2-(5-methylsulfanyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide
CID 3232086
N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 6489486
1-Cyclohexyl-3-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 6489572
N-(ethylcarbamoyl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 51107621
2-[(4-ethyl-5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1451229

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1,1-diethyl-3-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]urea (CID 3232083) is 1,1-diethyl-3-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1,1-diethyl-3-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]urea is CCN(CC)C(=O)NCCc1nnc(SC)n1C.
What is the InChIKey of 1,1-diethyl-3-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is FKNZKYCZKGUNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5OS/c1-5-16(6-2)10(17)12-8-7-9-13-14-11(18-4)15(9)3/h5-8H2,1-4H3,(H,12,17).
What are the key properties of 1,1-diethyl-3-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]urea?
1,1-diethyl-3-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 271.39 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 3232083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).