6-[5-(diethylamino)pentan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C14H27N5O2 — CID 43410485

IUPAC6-[5-(diethylamino)pentan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCN(CC)CCCC(C)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H27N5O2/c1-6-19(7-2)10-8-9-11(3)15-12-13(20)17(4)14(21)18(5)16-12/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyPMDOIFCAYJSBHI-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.40
Rot. Bonds8

About 6-[5-(diethylamino)pentan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[5-(diethylamino)pentan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 43410485) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 6-[5-(diethylamino)pentan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[5-(diethylamino)pentan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID43410485
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name6-[5-(diethylamino)pentan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCN(CC)CCCC(C)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H27N5O2/c1-6-19(7-2)10-8-9-11(3)15-12-13(20)17(4)14(21)18(5)16-12/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyPMDOIFCAYJSBHI-UHFFFAOYSA-N
XLogP0.40
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(diethylamino)pentan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[5-(diethylamino)pentan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 43410485) is 6-[5-(diethylamino)pentan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[5-(diethylamino)pentan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[5-(diethylamino)pentan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CCN(CC)CCCC(C)Nc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[5-(diethylamino)pentan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is PMDOIFCAYJSBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-6-19(7-2)10-8-9-11(3)15-12-13(20)17(4)14(21)18(5)16-12/h11H,6-10H2,1-5H3,(H,15,16).
What are the key properties of 6-[5-(diethylamino)pentan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[5-(diethylamino)pentan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 297.40 g/mol, XLogP of 0.40, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(diethylamino)pentan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).