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

C5H8N4O — CID 1263155

IUPACN-methyl-2-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCNC(=O)Cc1ncn[nH]1
InChIInChI=1S/C5H8N4O/c1-6-5(10)2-4-7-3-8-9-4/h3H,2H2,1H3,(H,6,10)(H,7,8,9)
InChIKeyBQWKNELTBIZVAR-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.91
Rot. Bonds2

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

N-methyl-2-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 1263155) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is N-methyl-2-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID1263155
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC NameN-methyl-2-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCNC(=O)Cc1ncn[nH]1
InChIInChI=1S/C5H8N4O/c1-6-5(10)2-4-7-3-8-9-4/h3H,2H2,1H3,(H,6,10)(H,7,8,9)
InChIKeyBQWKNELTBIZVAR-UHFFFAOYSA-N
XLogP-0.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-2-(4H-1,2,4-triazol-3-yl)acetamide
CID 3236314
2-(1H-1,2,4-triazol-3-yl)acetamide
CID 20107017
2-(1,5-Dimethyl-1,2,4-triazol-3-yl)acetohydrazide
CID 5270933
N-(3-methyl-4h-1,2,4-triazol-4-yl)acetamide
CID 138373733
3,3,3-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64518376
2,2,2-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64546522
2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64546651
3,3,3-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64547760
4,4,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 65711979
4,4,4-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 65711980
3,3,3-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)propanamide
CID 103310292
2,2-difluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 103514053

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-methyl-2-(1H-1,2,4-triazol-5-yl)acetamide (CID 1263155) is N-methyl-2-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-methyl-2-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-methyl-2-(1H-1,2,4-triazol-5-yl)acetamide is CNC(=O)Cc1ncn[nH]1.
What is the InChIKey of N-methyl-2-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is BQWKNELTBIZVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-6-5(10)2-4-7-3-8-9-4/h3H,2H2,1H3,(H,6,10)(H,7,8,9).
What are the key properties of N-methyl-2-(1H-1,2,4-triazol-5-yl)acetamide?
N-methyl-2-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 140.15 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 1263155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).