N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)acetamide

C6H10N4O — CID 54536490

IUPACN,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCN(C)C(=O)Cc1ncn[nH]1
InChIInChI=1S/C6H10N4O/c1-10(2)6(11)3-5-7-4-8-9-5/h4H,3H2,1-2H3,(H,7,8,9)
InChIKeyJMJUPCRRMYQTSI-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.56
Rot. Bonds2

About N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)acetamide

N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 54536490) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID54536490
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC NameN,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCN(C)C(=O)Cc1ncn[nH]1
InChIInChI=1S/C6H10N4O/c1-10(2)6(11)3-5-7-4-8-9-5/h4H,3H2,1-2H3,(H,7,8,9)
InChIKeyJMJUPCRRMYQTSI-UHFFFAOYSA-N
XLogP-0.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)acetamide (CID 54536490) is N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)acetamide is CN(C)C(=O)Cc1ncn[nH]1.
What is the InChIKey of N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is JMJUPCRRMYQTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-10(2)6(11)3-5-7-4-8-9-5/h4H,3H2,1-2H3,(H,7,8,9).
What are the key properties of N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)acetamide?
N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 154.17 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 54536490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).