6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione

C9H9N5O2 — CID 43410705

IUPAC6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCc2cccnc2)c(=O)[nH]1
InChIInChI=1S/C9H9N5O2/c15-8-7(13-14-9(16)12-8)11-5-6-2-1-3-10-4-6/h1-4H,5H2,(H,11,13)(H2,12,14,15,16)
InChIKeyIAEHJKAFGLYFQE-UHFFFAOYSA-N
MW219.20 g/mol
LogP-0.53
Rot. Bonds3

About 6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione

6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 43410705) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID43410705
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCc2cccnc2)c(=O)[nH]1
InChIInChI=1S/C9H9N5O2/c15-8-7(13-14-9(16)12-8)11-5-6-2-1-3-10-4-6/h1-4H,5H2,(H,11,13)(H2,12,14,15,16)
InChIKeyIAEHJKAFGLYFQE-UHFFFAOYSA-N
XLogP-0.53
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-methylphenyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 43410674
5-chloro-4-(pyridin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136973831
3-[[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]methyl]benzoic acid
CID 60893712
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 154862718
2-methyl-N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 164985859
3-fluoro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62733975
N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 29039345
6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542824
2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine
CID 70165419
6-[(5-methyl-1,3-thiazol-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 103703865
6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430201

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione (CID 43410705) is 6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCc2cccnc2)c(=O)[nH]1.
What is the InChIKey of 6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is IAEHJKAFGLYFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c15-8-7(13-14-9(16)12-8)11-5-6-2-1-3-10-4-6/h1-4H,5H2,(H,11,13)(H2,12,14,15,16).
What are the key properties of 6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione?
6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 219.20 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).