N-[(1-methylsulfanyltriazol-4-yl)methyl]acetamide

C6H10N4OS — CID 139547934

IUPACN-[(1-methylsulfanyltriazol-4-yl)methyl]acetamide
SMILESCSn1cc(CNC(C)=O)nn1
InChIInChI=1S/C6H10N4OS/c1-5(11)7-3-6-4-10(12-2)9-8-6/h4H,3H2,1-2H3,(H,7,11)
InChIKeyVQQRSYBLCYTTCP-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.04
Rot. Bonds3

About N-[(1-methylsulfanyltriazol-4-yl)methyl]acetamide

N-[(1-methylsulfanyltriazol-4-yl)methyl]acetamide (PubChem CID 139547934) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is N-[(1-methylsulfanyltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-methylsulfanyltriazol-4-yl)methyl]acetamide
PubChem CID139547934
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC NameN-[(1-methylsulfanyltriazol-4-yl)methyl]acetamide
SMILESCSn1cc(CNC(C)=O)nn1
InChIInChI=1S/C6H10N4OS/c1-5(11)7-3-6-4-10(12-2)9-8-6/h4H,3H2,1-2H3,(H,7,11)
InChIKeyVQQRSYBLCYTTCP-UHFFFAOYSA-N
XLogP0.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanyltriazol-4-yl)methyl]acetamide?
The IUPAC name of N-[(1-methylsulfanyltriazol-4-yl)methyl]acetamide (CID 139547934) is N-[(1-methylsulfanyltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(1-methylsulfanyltriazol-4-yl)methyl]acetamide?
The canonical SMILES for N-[(1-methylsulfanyltriazol-4-yl)methyl]acetamide is CSn1cc(CNC(C)=O)nn1.
What is the InChIKey of N-[(1-methylsulfanyltriazol-4-yl)methyl]acetamide?
The InChIKey is VQQRSYBLCYTTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-5(11)7-3-6-4-10(12-2)9-8-6/h4H,3H2,1-2H3,(H,7,11).
What are the key properties of N-[(1-methylsulfanyltriazol-4-yl)methyl]acetamide?
N-[(1-methylsulfanyltriazol-4-yl)methyl]acetamide has a molecular weight of 186.24 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanyltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 139547934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).