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

C8H14N4OS — CID 5035727

IUPACN,N-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCN(C)C(=O)CCSc1nncn1C
InChIInChI=1S/C8H14N4OS/c1-11(2)7(13)4-5-14-8-10-9-6-12(8)3/h6H,4-5H2,1-3H3
InChIKeyJXOMIWYMKJSOKX-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.39
Rot. Bonds4

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

N,N-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 5035727) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N,N-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID5035727
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN,N-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCN(C)C(=O)CCSc1nncn1C
InChIInChI=1S/C8H14N4OS/c1-11(2)7(13)4-5-14-8-10-9-6-12(8)3/h6H,4-5H2,1-3H3
InChIKeyJXOMIWYMKJSOKX-UHFFFAOYSA-N
XLogP0.39
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of N,N-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 5035727) is N,N-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is CN(C)C(=O)CCSc1nncn1C.
What is the InChIKey of N,N-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is JXOMIWYMKJSOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-11(2)7(13)4-5-14-8-10-9-6-12(8)3/h6H,4-5H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
N,N-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 214.29 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 5035727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).