2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide

C13H21N5O — CID 114387635

IUPAC2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide
SMILESCCc1nnc(NC(=O)C(C)C2CNC2)nc1CC
InChIInChI=1S/C13H21N5O/c1-4-10-11(5-2)17-18-13(15-10)16-12(19)8(3)9-6-14-7-9/h8-9,14H,4-7H2,1-3H3,(H,15,16,18,19)
InChIKeyUZAHTCGLWNMULI-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.79
Rot. Bonds5

About 2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide

2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide (PubChem CID 114387635) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide
PubChem CID114387635
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide
SMILESCCc1nnc(NC(=O)C(C)C2CNC2)nc1CC
InChIInChI=1S/C13H21N5O/c1-4-10-11(5-2)17-18-13(15-10)16-12(19)8(3)9-6-14-7-9/h8-9,14H,4-7H2,1-3H3,(H,15,16,18,19)
InChIKeyUZAHTCGLWNMULI-UHFFFAOYSA-N
XLogP0.79
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 114387585
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 114387643
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656641
5,6-diethyl-N-[3-(2-methylpropoxy)propyl]-1,2,4-triazin-3-amine
CID 102677358
N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpyrrolidine-2-carboxamide
CID 102780150
5,6-diethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,2,4-triazin-3-amine
CID 102913857
2-[(5,6-Diethyl-1,2,4-triazin-3-yl)amino]-3-methylbutanamide
CID 103095305
4-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methoxybutanamide
CID 103156811
4-[(5,6-Diethyl-1,2,4-triazin-3-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499325
(3S)-3-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylhexanamide
CID 104919469
(3S)-N-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-3-carboxamide
CID 104919476
(2R)-2-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-3,3-dimethylbutanamide
CID 104919477

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide (CID 114387635) is 2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide is CCc1nnc(NC(=O)C(C)C2CNC2)nc1CC.
What is the InChIKey of 2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide?
The InChIKey is UZAHTCGLWNMULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-10-11(5-2)17-18-13(15-10)16-12(19)8(3)9-6-14-7-9/h8-9,14H,4-7H2,1-3H3,(H,15,16,18,19).
What are the key properties of 2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide?
2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide has a molecular weight of 263.34 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(5,6-diethyl-1,2,4-triazin-3-yl)propanamide is sourced from PubChem (CID 114387635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).