6-(cyclopentylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

C11H18N4O2 — CID 43431825

IUPAC6-(cyclopentylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O2/c1-14-10(16)9(13-15(2)11(14)17)12-7-8-5-3-4-6-8/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyZFPVCLVDKFWFJY-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.08
Rot. Bonds3

About 6-(cyclopentylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-(cyclopentylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 43431825) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-(cyclopentylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(cyclopentylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID43431825
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name6-(cyclopentylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O2/c1-14-10(16)9(13-15(2)11(14)17)12-7-8-5-3-4-6-8/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyZFPVCLVDKFWFJY-UHFFFAOYSA-N
XLogP0.08
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(cyclopentylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 43431825) is 6-(cyclopentylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(cyclopentylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(cyclopentylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCC2CCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-(cyclopentylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is ZFPVCLVDKFWFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14-10(16)9(13-15(2)11(14)17)12-7-8-5-3-4-6-8/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 6-(cyclopentylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(cyclopentylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 238.29 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43431825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).