6-[cyclopentyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C12H20N4O3 — CID 54998769

IUPAC6-[cyclopentyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N(CCO)C2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O3/c1-14-11(18)10(13-15(2)12(14)19)16(7-8-17)9-5-3-4-6-9/h9,17H,3-8H2,1-2H3
InChIKeyJQWGAJBGAZJZJN-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.78
Rot. Bonds4

About 6-[cyclopentyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[cyclopentyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 54998769) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-[cyclopentyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[cyclopentyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID54998769
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name6-[cyclopentyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N(CCO)C2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O3/c1-14-11(18)10(13-15(2)12(14)19)16(7-8-17)9-5-3-4-6-9/h9,17H,3-8H2,1-2H3
InChIKeyJQWGAJBGAZJZJN-UHFFFAOYSA-N
XLogP-0.78
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopentyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[cyclopentyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 54998769) is 6-[cyclopentyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[cyclopentyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[cyclopentyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(N(CCO)C2CCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[cyclopentyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is JQWGAJBGAZJZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-14-11(18)10(13-15(2)12(14)19)16(7-8-17)9-5-3-4-6-9/h9,17H,3-8H2,1-2H3.
What are the key properties of 6-[cyclopentyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[cyclopentyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 268.32 g/mol, XLogP of -0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopentyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 54998769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).