6-[N-(1-pyridin-3-ylethyl)anilino]-2H-1,2,4-triazine-3,5-dione

C16H15N5O2 — CID 3268429

IUPAC6-[N-(1-pyridin-3-ylethyl)anilino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(c1cccnc1)N(c1ccccc1)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H15N5O2/c1-11(12-6-5-9-17-10-12)21(13-7-3-2-4-8-13)14-15(22)18-16(23)20-19-14/h2-11H,1H3,(H2,18,20,22,23)
InChIKeyWZSYEWDJUXWESI-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.75
Rot. Bonds4

About 6-[N-(1-pyridin-3-ylethyl)anilino]-2H-1,2,4-triazine-3,5-dione

6-[N-(1-pyridin-3-ylethyl)anilino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 3268429) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 6-[N-(1-pyridin-3-ylethyl)anilino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[N-(1-pyridin-3-ylethyl)anilino]-2H-1,2,4-triazine-3,5-dione
PubChem CID3268429
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name6-[N-(1-pyridin-3-ylethyl)anilino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(c1cccnc1)N(c1ccccc1)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H15N5O2/c1-11(12-6-5-9-17-10-12)21(13-7-3-2-4-8-13)14-15(22)18-16(23)20-19-14/h2-11H,1H3,(H2,18,20,22,23)
InChIKeyWZSYEWDJUXWESI-UHFFFAOYSA-N
XLogP1.75
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[N-(1-pyridin-3-ylethyl)anilino]-2H-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

N-methyl-N-[(1S)-1-phenylethyl]pyridin-3-amine
CID 124632027
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
4-[propan-2-yl(1-pyridin-3-ylethyl)amino]butanoic acid
CID 65058589
4-(2-pyridin-3-ylpropyl)-2H-phthalazin-1-one
CID 22386478
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 35355755
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
N-methyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 143947974
3,5-dimethyl-N-(1-pyridin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 43397195
2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid
CID 65064646
2-[[4-nitro-7-[N-(1-pyridin-3-ylethyl)anilino]-2,1,3-benzoxadiazol-5-yl]amino]ethanol
CID 3764818
6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410705

Frequently Asked Questions

What is the IUPAC name of 6-[N-(1-pyridin-3-ylethyl)anilino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[N-(1-pyridin-3-ylethyl)anilino]-2H-1,2,4-triazine-3,5-dione (CID 3268429) is 6-[N-(1-pyridin-3-ylethyl)anilino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[N-(1-pyridin-3-ylethyl)anilino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[N-(1-pyridin-3-ylethyl)anilino]-2H-1,2,4-triazine-3,5-dione is CC(c1cccnc1)N(c1ccccc1)c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[N-(1-pyridin-3-ylethyl)anilino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is WZSYEWDJUXWESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-11(12-6-5-9-17-10-12)21(13-7-3-2-4-8-13)14-15(22)18-16(23)20-19-14/h2-11H,1H3,(H2,18,20,22,23).
What are the key properties of 6-[N-(1-pyridin-3-ylethyl)anilino]-2H-1,2,4-triazine-3,5-dione?
6-[N-(1-pyridin-3-ylethyl)anilino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 309.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[N-(1-pyridin-3-ylethyl)anilino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 3268429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).