1-[2-(dimethylamino)ethyl]triazinan-4-one

C7H16N4O — CID 21441191

IUPAC1-[2-(dimethylamino)ethyl]triazinan-4-one
SMILESCN(C)CCN1CCC(=O)NN1
InChIInChI=1S/C7H16N4O/c1-10(2)5-6-11-4-3-7(12)8-9-11/h9H,3-6H2,1-2H3,(H,8,12)
InChIKeyJIPWAIHSFXWPNM-UHFFFAOYSA-N
MW172.23 g/mol
LogP-1.21
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]triazinan-4-one

1-[2-(dimethylamino)ethyl]triazinan-4-one (PubChem CID 21441191) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]triazinan-4-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]triazinan-4-one
PubChem CID21441191
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Name1-[2-(dimethylamino)ethyl]triazinan-4-one
SMILESCN(C)CCN1CCC(=O)NN1
InChIInChI=1S/C7H16N4O/c1-10(2)5-6-11-4-3-7(12)8-9-11/h9H,3-6H2,1-2H3,(H,8,12)
InChIKeyJIPWAIHSFXWPNM-UHFFFAOYSA-N
XLogP-1.21
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]triazinan-4-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]triazinan-4-one (CID 21441191) is 1-[2-(dimethylamino)ethyl]triazinan-4-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]triazinan-4-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]triazinan-4-one is CN(C)CCN1CCC(=O)NN1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]triazinan-4-one?
The InChIKey is JIPWAIHSFXWPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c1-10(2)5-6-11-4-3-7(12)8-9-11/h9H,3-6H2,1-2H3,(H,8,12).
What are the key properties of 1-[2-(dimethylamino)ethyl]triazinan-4-one?
1-[2-(dimethylamino)ethyl]triazinan-4-one has a molecular weight of 172.23 g/mol, XLogP of -1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]triazinan-4-one is sourced from PubChem (CID 21441191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).