N-[4-(1,2,4-triazol-4-yl)phenyl]acetamide

C10H10N4O — CID 4086562

IUPACN-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2cnnc2)cc1
InChIInChI=1S/C10H10N4O/c1-8(15)13-9-2-4-10(5-3-9)14-6-11-12-7-14/h2-7H,1H3,(H,13,15)
InChIKeyRBAFMDFJFDEJBG-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.23
Rot. Bonds2

About N-[4-(1,2,4-triazol-4-yl)phenyl]acetamide

N-[4-(1,2,4-triazol-4-yl)phenyl]acetamide (PubChem CID 4086562) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is N-[4-(1,2,4-triazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
PubChem CID4086562
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC NameN-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-n2cnnc2)cc1
InChIInChI=1S/C10H10N4O/c1-8(15)13-9-2-4-10(5-3-9)14-6-11-12-7-14/h2-7H,1H3,(H,13,15)
InChIKeyRBAFMDFJFDEJBG-UHFFFAOYSA-N
XLogP1.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,4-triazol-4-yl)phenyl]acetamide?
The IUPAC name of N-[4-(1,2,4-triazol-4-yl)phenyl]acetamide (CID 4086562) is N-[4-(1,2,4-triazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1,2,4-triazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(1,2,4-triazol-4-yl)phenyl]acetamide is CC(=O)Nc1ccc(-n2cnnc2)cc1.
What is the InChIKey of N-[4-(1,2,4-triazol-4-yl)phenyl]acetamide?
The InChIKey is RBAFMDFJFDEJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-8(15)13-9-2-4-10(5-3-9)14-6-11-12-7-14/h2-7H,1H3,(H,13,15).
What are the key properties of N-[4-(1,2,4-triazol-4-yl)phenyl]acetamide?
N-[4-(1,2,4-triazol-4-yl)phenyl]acetamide has a molecular weight of 202.22 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,4-triazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 4086562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).