N,N-dimethyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazole-1-carboxamide

C11H13N5OS — CID 14857196

IUPACN,N-dimethyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazole-1-carboxamide
SMILESCN(C)C(=O)n1cnc(SCc2ccccn2)n1
InChIInChI=1S/C11H13N5OS/c1-15(2)11(17)16-8-13-10(14-16)18-7-9-5-3-4-6-12-9/h3-6,8H,7H2,1-2H3
InChIKeyCFTFYEACYXOUNB-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.50
Rot. Bonds3

About N,N-dimethyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazole-1-carboxamide

N,N-dimethyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazole-1-carboxamide (PubChem CID 14857196) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is N,N-dimethyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazole-1-carboxamide
PubChem CID14857196
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC NameN,N-dimethyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazole-1-carboxamide
SMILESCN(C)C(=O)n1cnc(SCc2ccccn2)n1
InChIInChI=1S/C11H13N5OS/c1-15(2)11(17)16-8-13-10(14-16)18-7-9-5-3-4-6-12-9/h3-6,8H,7H2,1-2H3
InChIKeyCFTFYEACYXOUNB-UHFFFAOYSA-N
XLogP1.50
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazole-1-carboxamide?
The IUPAC name of N,N-dimethyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazole-1-carboxamide (CID 14857196) is N,N-dimethyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N,N-dimethyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazole-1-carboxamide is CN(C)C(=O)n1cnc(SCc2ccccn2)n1.
What is the InChIKey of N,N-dimethyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazole-1-carboxamide?
The InChIKey is CFTFYEACYXOUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-15(2)11(17)16-8-13-10(14-16)18-7-9-5-3-4-6-12-9/h3-6,8H,7H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazole-1-carboxamide?
N,N-dimethyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazole-1-carboxamide has a molecular weight of 263.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 14857196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).