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

C12H20N4O2 — CID 54881525

IUPAC6-[(4-ethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCCC1CCC(CNc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H20N4O2/c1-2-8-3-5-9(6-4-8)7-13-10-11(17)14-12(18)16-15-10/h8-9H,2-7H2,1H3,(H,13,15)(H2,14,16,17,18)
InChIKeyYFXXGORUMMEMHM-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.09
Rot. Bonds4

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

6-[(4-ethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 54881525) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-[(4-ethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(4-ethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID54881525
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-[(4-ethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCCC1CCC(CNc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C12H20N4O2/c1-2-8-3-5-9(6-4-8)7-13-10-11(17)14-12(18)16-15-10/h8-9H,2-7H2,1H3,(H,13,15)(H2,14,16,17,18)
InChIKeyYFXXGORUMMEMHM-UHFFFAOYSA-N
XLogP1.09
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(4-ethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione (CID 54881525) is 6-[(4-ethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(4-ethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(4-ethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione is CCC1CCC(CNc2n[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-[(4-ethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is YFXXGORUMMEMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-8-3-5-9(6-4-8)7-13-10-11(17)14-12(18)16-15-10/h8-9H,2-7H2,1H3,(H,13,15)(H2,14,16,17,18).
What are the key properties of 6-[(4-ethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(4-ethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 252.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 54881525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).