6-[(4-methylphenyl)methylamino]-2H-1,2,4-triazine-3,5-dione

C11H12N4O2 — CID 43410674

IUPAC6-[(4-methylphenyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCc1ccc(CNc2n[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C11H12N4O2/c1-7-2-4-8(5-3-7)6-12-9-10(16)13-11(17)15-14-9/h2-5H,6H2,1H3,(H,12,14)(H2,13,15,16,17)
InChIKeyFQVHQHOWFVPXTE-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.38
Rot. Bonds3

About 6-[(4-methylphenyl)methylamino]-2H-1,2,4-triazine-3,5-dione

6-[(4-methylphenyl)methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 43410674) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-[(4-methylphenyl)methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(4-methylphenyl)methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID43410674
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name6-[(4-methylphenyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCc1ccc(CNc2n[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C11H12N4O2/c1-7-2-4-8(5-3-7)6-12-9-10(16)13-11(17)15-14-9/h2-5H,6H2,1H3,(H,12,14)(H2,13,15,16,17)
InChIKeyFQVHQHOWFVPXTE-UHFFFAOYSA-N
XLogP0.38
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410705
5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 135575672
6-[(5-methyl-1,3-thiazol-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 103703865
6-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-2H-1,2,4-triazine-3,5-dione
CID 63359236
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 110337447
3-[[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]methyl]benzoic acid
CID 60893712
3,4-bis[(4-methylphenyl)methylamino]cyclobut-3-ene-1,2-dione
CID 155941627
6-[(3-amino-2,2-dimethylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 115366122
2,5-dichloro-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 79632690
4-methyl-N-[[4-[(4-methylanilino)methyl]phenyl]methyl]aniline
CID 3313778
5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 755955
2-methyl-6-[(4-methylphenyl)methylamino]-3H-quinazolin-4-one
CID 137101004

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(4-methylphenyl)methylamino]-2H-1,2,4-triazine-3,5-dione (CID 43410674) is 6-[(4-methylphenyl)methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(4-methylphenyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(4-methylphenyl)methylamino]-2H-1,2,4-triazine-3,5-dione is Cc1ccc(CNc2n[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 6-[(4-methylphenyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is FQVHQHOWFVPXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-2-4-8(5-3-7)6-12-9-10(16)13-11(17)15-14-9/h2-5H,6H2,1H3,(H,12,14)(H2,13,15,16,17).
What are the key properties of 6-[(4-methylphenyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(4-methylphenyl)methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 232.24 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).