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

C5H7N5O2 — CID 91704516

IUPACN-(1H-1,2,4-triazol-5-ylcarbamoyl)acetamide
SMILESCC(=O)NC(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H7N5O2/c1-3(11)8-5(12)9-4-6-2-7-10-4/h2H,1H3,(H3,6,7,8,9,10,11,12)
InChIKeyCRQBFNIDNFENPP-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.53
Rot. Bonds1

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

N-(1H-1,2,4-triazol-5-ylcarbamoyl)acetamide (PubChem CID 91704516) has the molecular formula C5H7N5O2 and a molecular weight of 169.14 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylcarbamoyl)acetamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylcarbamoyl)acetamide
PubChem CID91704516
Molecular FormulaC5H7N5O2
Molecular Weight169.14 g/mol
Exact Mass169.06
IUPAC NameN-(1H-1,2,4-triazol-5-ylcarbamoyl)acetamide
SMILESCC(=O)NC(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H7N5O2/c1-3(11)8-5(12)9-4-6-2-7-10-4/h2H,1H3,(H3,6,7,8,9,10,11,12)
InChIKeyCRQBFNIDNFENPP-UHFFFAOYSA-N
XLogP-0.53
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-1H-1,2,4-Triazol-5-ylacetamide
CID 266439
1-Ethyl-3-(1h-1,2,4-triazol-5-yl)urea
CID 282307
N-(1h-1,2,4-triazol-5-yl)cyano-acetamide
CID 82667977
2-Mercapto-N-1H-1,2,4-triazol-5-ylacetamide
CID 83768040
2-cyano-N-(1h-1,2,4-triazol-3-yl) acetamide
CID 168355011
2,2-difluoro-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 12510004
N-(1H-1,2,4-triazol-5-yl)butanamide
CID 5020131
2-methyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 13098083
N-(1H-1,2,4-triazol-5-yl)propanamide
CID 18935602
N-(1H-1,2,4-triazol-3-yl)pivalamide
CID 19171438
2-bromo-N-(1H-1,2,4-triazol-3-yl)acetamide
CID 63665208
acetamide;1H-1,2,4-triazole
CID 90177509

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylcarbamoyl)acetamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylcarbamoyl)acetamide (CID 91704516) is N-(1H-1,2,4-triazol-5-ylcarbamoyl)acetamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylcarbamoyl)acetamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylcarbamoyl)acetamide is CC(=O)NC(=O)Nc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylcarbamoyl)acetamide?
The InChIKey is CRQBFNIDNFENPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O2/c1-3(11)8-5(12)9-4-6-2-7-10-4/h2H,1H3,(H3,6,7,8,9,10,11,12).
What are the key properties of N-(1H-1,2,4-triazol-5-ylcarbamoyl)acetamide?
N-(1H-1,2,4-triazol-5-ylcarbamoyl)acetamide has a molecular weight of 169.14 g/mol, XLogP of -0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylcarbamoyl)acetamide is sourced from PubChem (CID 91704516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).