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

C11H18N4O2 — CID 55009871

IUPAC6-[(2-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1CCCCC1CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-7-4-2-3-5-8(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)
InChIKeyVJFPNVAMSLOMQU-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.70
Rot. Bonds3

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

6-[(2-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 55009871) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-[(2-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID55009871
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name6-[(2-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1CCCCC1CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-7-4-2-3-5-8(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)
InChIKeyVJFPNVAMSLOMQU-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione (CID 55009871) is 6-[(2-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione is CC1CCCCC1CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(2-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is VJFPNVAMSLOMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-4-2-3-5-8(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-[(2-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(2-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-[(2-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 55009871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).