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

C11H18N4O2 — CID 61371432

IUPAC6-[(4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1CCC(CNc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H18N4O2/c1-7-2-4-8(5-3-7)6-12-9-10(16)13-11(17)15-14-9/h7-8H,2-6H2,1H3,(H,12,14)(H2,13,15,16,17)
InChIKeyKJRMBPRNFPPCMO-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.70
Rot. Bonds3

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

6-[(4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 61371432) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-[(4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID61371432
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name6-[(4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1CCC(CNc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H18N4O2/c1-7-2-4-8(5-3-7)6-12-9-10(16)13-11(17)15-14-9/h7-8H,2-6H2,1H3,(H,12,14)(H2,13,15,16,17)
InChIKeyKJRMBPRNFPPCMO-UHFFFAOYSA-N
XLogP0.70
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione (CID 61371432) is 6-[(4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(4-methylcyclohexyl)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-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is KJRMBPRNFPPCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-2-4-8(5-3-7)6-12-9-10(16)13-11(17)15-14-9/h7-8H,2-6H2,1H3,(H,12,14)(H2,13,15,16,17).
What are the key properties of 6-[(4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 238.29 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61371432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).