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

C5H8N4O — CID 60983677

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCC(=O)NCc1ncn[nH]1
InChIInChI=1S/C5H8N4O/c1-4(10)6-2-5-7-3-8-9-5/h3H,2H2,1H3,(H,6,10)(H,7,8,9)
InChIKeyBANFHAYFSBVECK-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.56
Rot. Bonds2

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

N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 60983677) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID60983677
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCC(=O)NCc1ncn[nH]1
InChIInChI=1S/C5H8N4O/c1-4(10)6-2-5-7-3-8-9-5/h3H,2H2,1H3,(H,6,10)(H,7,8,9)
InChIKeyBANFHAYFSBVECK-UHFFFAOYSA-N
XLogP-0.56
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 ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 60983677) is N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is CC(=O)NCc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is BANFHAYFSBVECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-4(10)6-2-5-7-3-8-9-5/h3H,2H2,1H3,(H,6,10)(H,7,8,9).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 140.15 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 60983677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).