N,N-diethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C13H18N6OS — CID 974205

IUPACN,N-diethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nnc(-c2cnccn2)n1C
InChIInChI=1S/C13H18N6OS/c1-4-19(5-2)11(20)9-21-13-17-16-12(18(13)3)10-8-14-6-7-15-10/h6-8H,4-5,9H2,1-3H3
InChIKeyBZKUBOUFGQLTKR-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.23
Rot. Bonds6

About N,N-diethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N,N-diethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 974205) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID974205
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC NameN,N-diethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nnc(-c2cnccn2)n1C
InChIInChI=1S/C13H18N6OS/c1-4-19(5-2)11(20)9-21-13-17-16-12(18(13)3)10-8-14-6-7-15-10/h6-8H,4-5,9H2,1-3H3
InChIKeyBZKUBOUFGQLTKR-UHFFFAOYSA-N
XLogP1.23
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 974205) is N,N-diethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCN(CC)C(=O)CSc1nnc(-c2cnccn2)n1C.
What is the InChIKey of N,N-diethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is BZKUBOUFGQLTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-4-19(5-2)11(20)9-21-13-17-16-12(18(13)3)10-8-14-6-7-15-10/h6-8H,4-5,9H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N,N-diethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 306.39 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 974205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).