N-[4-[6-(4-nitrosophenyl)-1,2,4-triazin-3-yl]phenyl]acetamide

C17H13N5O2 — CID 174917262

IUPACN-[4-[6-(4-nitrosophenyl)-1,2,4-triazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ncc(-c3ccc(N=O)cc3)nn2)cc1
InChIInChI=1S/C17H13N5O2/c1-11(23)19-14-6-4-13(5-7-14)17-18-10-16(20-21-17)12-2-8-15(22-24)9-3-12/h2-10H,1H3,(H,19,23)
InChIKeyUKAVPARKOGHLIK-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.56
Rot. Bonds4

About N-[4-[6-(4-nitrosophenyl)-1,2,4-triazin-3-yl]phenyl]acetamide

N-[4-[6-(4-nitrosophenyl)-1,2,4-triazin-3-yl]phenyl]acetamide (PubChem CID 174917262) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-[4-[6-(4-nitrosophenyl)-1,2,4-triazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-(4-nitrosophenyl)-1,2,4-triazin-3-yl]phenyl]acetamide
PubChem CID174917262
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC NameN-[4-[6-(4-nitrosophenyl)-1,2,4-triazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ncc(-c3ccc(N=O)cc3)nn2)cc1
InChIInChI=1S/C17H13N5O2/c1-11(23)19-14-6-4-13(5-7-14)17-18-10-16(20-21-17)12-2-8-15(22-24)9-3-12/h2-10H,1H3,(H,19,23)
InChIKeyUKAVPARKOGHLIK-UHFFFAOYSA-N
XLogP3.56
TPSA97.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-nitrosophenyl)-1,2,4-triazin-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[6-(4-nitrosophenyl)-1,2,4-triazin-3-yl]phenyl]acetamide (CID 174917262) is N-[4-[6-(4-nitrosophenyl)-1,2,4-triazin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[6-(4-nitrosophenyl)-1,2,4-triazin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[6-(4-nitrosophenyl)-1,2,4-triazin-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ncc(-c3ccc(N=O)cc3)nn2)cc1.
What is the InChIKey of N-[4-[6-(4-nitrosophenyl)-1,2,4-triazin-3-yl]phenyl]acetamide?
The InChIKey is UKAVPARKOGHLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-11(23)19-14-6-4-13(5-7-14)17-18-10-16(20-21-17)12-2-8-15(22-24)9-3-12/h2-10H,1H3,(H,19,23).
What are the key properties of N-[4-[6-(4-nitrosophenyl)-1,2,4-triazin-3-yl]phenyl]acetamide?
N-[4-[6-(4-nitrosophenyl)-1,2,4-triazin-3-yl]phenyl]acetamide has a molecular weight of 319.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4-nitrosophenyl)-1,2,4-triazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 174917262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).