2,4-dimethyl-6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-1,2,4-triazine-3,5-dione

C15H18N4O2 — CID 60658790

IUPAC2,4-dimethyl-6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC2CCc3ccccc3C2)c(=O)n(C)c1=O
InChIInChI=1S/C15H18N4O2/c1-18-14(20)13(17-19(2)15(18)21)16-12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,7-9H2,1-2H3,(H,16,17)
InChIKeyLORUUEGSCMJIFG-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.45
Rot. Bonds2

About 2,4-dimethyl-6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-1,2,4-triazine-3,5-dione (PubChem CID 60658790) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2,4-dimethyl-6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-1,2,4-triazine-3,5-dione
PubChem CID60658790
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2,4-dimethyl-6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC2CCc3ccccc3C2)c(=O)n(C)c1=O
InChIInChI=1S/C15H18N4O2/c1-18-14(20)13(17-19(2)15(18)21)16-12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,7-9H2,1-2H3,(H,16,17)
InChIKeyLORUUEGSCMJIFG-UHFFFAOYSA-N
XLogP0.45
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-1,2,4-triazine-3,5-dione (CID 60658790) is 2,4-dimethyl-6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-1,2,4-triazine-3,5-dione is Cn1nc(NC2CCc3ccccc3C2)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-1,2,4-triazine-3,5-dione?
The InChIKey is LORUUEGSCMJIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18-14(20)13(17-19(2)15(18)21)16-12-8-7-10-5-3-4-6-11(10)9-12/h3-6,12H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2,4-dimethyl-6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-1,2,4-triazine-3,5-dione has a molecular weight of 286.34 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60658790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).