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

C6H8N4O2 — CID 139664642

IUPACN-acetyl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1ncn[nH]1
InChIInChI=1S/C6H8N4O2/c1-4(11)10(5(2)12)6-7-3-8-9-6/h3H,1-2H3,(H,7,8,9)
InChIKeyZBQIVBXCQYZKNY-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.30
Rot. Bonds1

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

N-acetyl-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 139664642) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is N-acetyl-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID139664642
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC NameN-acetyl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCC(=O)N(C(C)=O)c1ncn[nH]1
InChIInChI=1S/C6H8N4O2/c1-4(11)10(5(2)12)6-7-3-8-9-6/h3H,1-2H3,(H,7,8,9)
InChIKeyZBQIVBXCQYZKNY-UHFFFAOYSA-N
XLogP-0.30
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-1H-1,2,4-Triazol-5-ylacetamide
CID 266439
N-(1H-1,2,4-triazol-5-ylcarbamoyl)acetamide
CID 91704516
N-(1H-1,2,4-triazol-5-yl)propanamide
CID 18935602
2-amino-N-ethyl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 69033666
ethane;N-(1H-1,2,4-triazol-5-yl)acetamide
CID 90819023
N-ethyl-N-(1H-1,2,4-triazol-5-yl)formamide
CID 91137894
methane;N-(1H-1,2,4-triazol-5-yl)acetamide
CID 157061334
N,2,2-trimethyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 176738808
N-ethyl-N-(1H-1,2,4-triazol-5-ylcarbamoyl)carbamate
CID 57349108
2-[acetyl(methyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61381736
1,1-diethyl-3-(1H-1,2,4-triazol-5-yl)urea
CID 79162071
N',N'-diethyl-N-(1H-1,2,4-triazol-5-yl)oxamide
CID 108526088

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-acetyl-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 139664642) is N-acetyl-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-acetyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-acetyl-N-(1H-1,2,4-triazol-5-yl)acetamide is CC(=O)N(C(C)=O)c1ncn[nH]1.
What is the InChIKey of N-acetyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is ZBQIVBXCQYZKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-4(11)10(5(2)12)6-7-3-8-9-6/h3H,1-2H3,(H,7,8,9).
What are the key properties of N-acetyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
N-acetyl-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 168.16 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 139664642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).