4-hexan-3-yl-1,2,4-triazinan-3-one

C9H19N3O — CID 145049642

IUPAC4-hexan-3-yl-1,2,4-triazinan-3-one
SMILESCCCC(CC)N1CCNNC1=O
InChIInChI=1S/C9H19N3O/c1-3-5-8(4-2)12-7-6-10-11-9(12)13/h8,10H,3-7H2,1-2H3,(H,11,13)
InChIKeyDHLRWNGWFLMLCT-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds4

About 4-hexan-3-yl-1,2,4-triazinan-3-one

4-hexan-3-yl-1,2,4-triazinan-3-one (PubChem CID 145049642) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-hexan-3-yl-1,2,4-triazinan-3-one.

Molecular Properties

Compound Name4-hexan-3-yl-1,2,4-triazinan-3-one
PubChem CID145049642
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name4-hexan-3-yl-1,2,4-triazinan-3-one
SMILESCCCC(CC)N1CCNNC1=O
InChIInChI=1S/C9H19N3O/c1-3-5-8(4-2)12-7-6-10-11-9(12)13/h8,10H,3-7H2,1-2H3,(H,11,13)
InChIKeyDHLRWNGWFLMLCT-UHFFFAOYSA-N
XLogP1.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hexan-3-yl-1,2,4-triazinan-3-one?
The IUPAC name of 4-hexan-3-yl-1,2,4-triazinan-3-one (CID 145049642) is 4-hexan-3-yl-1,2,4-triazinan-3-one.
What is the SMILES notation for 4-hexan-3-yl-1,2,4-triazinan-3-one?
The canonical SMILES for 4-hexan-3-yl-1,2,4-triazinan-3-one is CCCC(CC)N1CCNNC1=O.
What is the InChIKey of 4-hexan-3-yl-1,2,4-triazinan-3-one?
The InChIKey is DHLRWNGWFLMLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-5-8(4-2)12-7-6-10-11-9(12)13/h8,10H,3-7H2,1-2H3,(H,11,13).
What are the key properties of 4-hexan-3-yl-1,2,4-triazinan-3-one?
4-hexan-3-yl-1,2,4-triazinan-3-one has a molecular weight of 185.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexan-3-yl-1,2,4-triazinan-3-one is sourced from PubChem (CID 145049642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).