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

C11H14N6OS — CID 1429063

IUPACN,N-dimethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCN(C)C(=O)CSc1nnc(-c2cnccn2)n1C
InChIInChI=1S/C11H14N6OS/c1-16(2)9(18)7-19-11-15-14-10(17(11)3)8-6-12-4-5-13-8/h4-6H,7H2,1-3H3
InChIKeyDDNPSTFFIOELDQ-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.45
Rot. Bonds4

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

N,N-dimethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 1429063) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID1429063
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC NameN,N-dimethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCN(C)C(=O)CSc1nnc(-c2cnccn2)n1C
InChIInChI=1S/C11H14N6OS/c1-16(2)9(18)7-19-11-15-14-10(17(11)3)8-6-12-4-5-13-8/h4-6H,7H2,1-3H3
InChIKeyDDNPSTFFIOELDQ-UHFFFAOYSA-N
XLogP0.45
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 1429063) is N,N-dimethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CN(C)C(=O)CSc1nnc(-c2cnccn2)n1C.
What is the InChIKey of N,N-dimethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is DDNPSTFFIOELDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-16(2)9(18)7-19-11-15-14-10(17(11)3)8-6-12-4-5-13-8/h4-6H,7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N,N-dimethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 278.34 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1429063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).