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

C5H10N4O — CID 157061334

IUPACmethane;N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESC.CC(=O)Nc1ncn[nH]1
InChIInChI=1S/C4H6N4O.CH4/c1-3(9)7-4-5-2-6-8-4;/h2H,1H3,(H2,5,6,7,8,9);1H4
InChIKeyABJFCWQCPBTODB-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.40
Rot. Bonds1

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

methane;N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 157061334) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is methane;N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Namemethane;N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID157061334
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Namemethane;N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESC.CC(=O)Nc1ncn[nH]1
InChIInChI=1S/C4H6N4O.CH4/c1-3(9)7-4-5-2-6-8-4;/h2H,1H3,(H2,5,6,7,8,9);1H4
InChIKeyABJFCWQCPBTODB-UHFFFAOYSA-N
XLogP0.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methane;N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of methane;N-(1H-1,2,4-triazol-5-yl)acetamide (CID 157061334) is methane;N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for methane;N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for methane;N-(1H-1,2,4-triazol-5-yl)acetamide is C.CC(=O)Nc1ncn[nH]1.
What is the InChIKey of methane;N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is ABJFCWQCPBTODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O.CH4/c1-3(9)7-4-5-2-6-8-4;/h2H,1H3,(H2,5,6,7,8,9);1H4.
What are the key properties of methane;N-(1H-1,2,4-triazol-5-yl)acetamide?
methane;N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 142.16 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 157061334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).