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

C10H16N4O2 — CID 43431804

IUPAC6-[(4-methylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1CCC(Nc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H16N4O2/c1-6-2-4-7(5-3-6)11-8-9(15)12-10(16)14-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,12,14,15,16)
InChIKeyBTUSHMMWVJXUQZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.45
Rot. Bonds2

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

6-[(4-methylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 43431804) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-[(4-methylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(4-methylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID43431804
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name6-[(4-methylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1CCC(Nc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H16N4O2/c1-6-2-4-7(5-3-6)11-8-9(15)12-10(16)14-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,12,14,15,16)
InChIKeyBTUSHMMWVJXUQZ-UHFFFAOYSA-N
XLogP0.45
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(4-methylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 43431804) is 6-[(4-methylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(4-methylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(4-methylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione is CC1CCC(Nc2n[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-[(4-methylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is BTUSHMMWVJXUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6-2-4-7(5-3-6)11-8-9(15)12-10(16)14-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,12,14,15,16).
What are the key properties of 6-[(4-methylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(4-methylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 224.26 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43431804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).