6-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C14H24N4O3 — CID 65119916

IUPAC6-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCC1CCC(O)(CNc2nn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C14H24N4O3/c1-4-10-5-7-14(21,8-6-10)9-15-11-12(19)17(2)13(20)18(3)16-11/h10,21H,4-9H2,1-3H3,(H,15,16)
InChIKeyZNIBBZAKLBHGBO-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.22
Rot. Bonds4

About 6-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 65119916) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID65119916
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name6-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCC1CCC(O)(CNc2nn(C)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C14H24N4O3/c1-4-10-5-7-14(21,8-6-10)9-15-11-12(19)17(2)13(20)18(3)16-11/h10,21H,4-9H2,1-3H3,(H,15,16)
InChIKeyZNIBBZAKLBHGBO-UHFFFAOYSA-N
XLogP0.22
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2,4-dimethyl-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-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 65119916) is 6-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CCC1CCC(O)(CNc2nn(C)c(=O)n(C)c2=O)CC1.
What is the InChIKey of 6-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is ZNIBBZAKLBHGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-4-10-5-7-14(21,8-6-10)9-15-11-12(19)17(2)13(20)18(3)16-11/h10,21H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 6-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 296.37 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 65119916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).