N-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide

C12H14N4O2 — CID 75390996

IUPACN-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Cn2ncn(C)c2=O)c1
InChIInChI=1S/C12H14N4O2/c1-9(17)14-11-5-3-4-10(6-11)7-16-12(18)15(2)8-13-16/h3-6,8H,7H2,1-2H3,(H,14,17)
InChIKeyRLIMHCKHPMPVHY-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.59
Rot. Bonds3

About N-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide

N-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide (PubChem CID 75390996) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide
PubChem CID75390996
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Cn2ncn(C)c2=O)c1
InChIInChI=1S/C12H14N4O2/c1-9(17)14-11-5-3-4-10(6-11)7-16-12(18)15(2)8-13-16/h3-6,8H,7H2,1-2H3,(H,14,17)
InChIKeyRLIMHCKHPMPVHY-UHFFFAOYSA-N
XLogP0.59
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide
CID 113340193
N-methyl-3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide
CID 75391007
N-(3-fluorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115774438
methyl 2-fluoro-4-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoate
CID 113340195
N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 110921338
N-[3-(sulfanylmethyl)phenyl]acetamide
CID 17308
N-[3-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]phenyl]acetamide
CID 99816656
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-[3-[2-[4-(4-fluorophenyl)-5-oxotetrazol-1-yl]ethyl]phenyl]acetamide
CID 167967190
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 61034736
N-[3-[(3-oxo-2H-indazol-1-yl)methyl]phenyl]acetamide
CID 19805432

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide (CID 75390996) is N-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide is CC(=O)Nc1cccc(Cn2ncn(C)c2=O)c1.
What is the InChIKey of N-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide?
The InChIKey is RLIMHCKHPMPVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-9(17)14-11-5-3-4-10(6-11)7-16-12(18)15(2)8-13-16/h3-6,8H,7H2,1-2H3,(H,14,17).
What are the key properties of N-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide?
N-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide has a molecular weight of 246.27 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 75390996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).