N-methylacetamide;1H-1,2,4-triazole

C5H10N4O — CID 145181635

IUPACN-methylacetamide;1H-1,2,4-triazole
SMILESCNC(C)=O.c1nc[nH]n1
InChIInChI=1S/C3H7NO.C2H3N3/c1-3(5)4-2;1-3-2-5-4-1/h1-2H3,(H,4,5);1-2H,(H,3,4,5)
InChIKeyILWMIWKQWLZZBT-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.44
Rot. Bonds

About N-methylacetamide;1H-1,2,4-triazole

N-methylacetamide;1H-1,2,4-triazole (PubChem CID 145181635) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is N-methylacetamide;1H-1,2,4-triazole.

Molecular Properties

Compound NameN-methylacetamide;1H-1,2,4-triazole
PubChem CID145181635
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC NameN-methylacetamide;1H-1,2,4-triazole
SMILESCNC(C)=O.c1nc[nH]n1
InChIInChI=1S/C3H7NO.C2H3N3/c1-3(5)4-2;1-3-2-5-4-1/h1-2H3,(H,4,5);1-2H,(H,3,4,5)
InChIKeyILWMIWKQWLZZBT-UHFFFAOYSA-N
XLogP-0.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylacetamide;1H-1,2,4-triazole?
The IUPAC name of N-methylacetamide;1H-1,2,4-triazole (CID 145181635) is N-methylacetamide;1H-1,2,4-triazole.
What is the SMILES notation for N-methylacetamide;1H-1,2,4-triazole?
The canonical SMILES for N-methylacetamide;1H-1,2,4-triazole is CNC(C)=O.c1nc[nH]n1.
What is the InChIKey of N-methylacetamide;1H-1,2,4-triazole?
The InChIKey is ILWMIWKQWLZZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C2H3N3/c1-3(5)4-2;1-3-2-5-4-1/h1-2H3,(H,4,5);1-2H,(H,3,4,5).
What are the key properties of N-methylacetamide;1H-1,2,4-triazole?
N-methylacetamide;1H-1,2,4-triazole has a molecular weight of 142.16 g/mol, XLogP of -0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylacetamide;1H-1,2,4-triazole is sourced from PubChem (CID 145181635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).