N-(1,2,4-triazin-5-yl)propanamide

C6H8N4O — CID 121358009

IUPACN-(1,2,4-triazin-5-yl)propanamide
SMILESCCC(=O)Nc1cnncn1
InChIInChI=1S/C6H8N4O/c1-2-6(11)10-5-3-8-9-4-7-5/h3-4H,2H2,1H3,(H,7,9,10,11)
InChIKeyFTFSRCADKOKENT-UHFFFAOYSA-N
MW152.16 g/mol
LogP0.22
Rot. Bonds2

About N-(1,2,4-triazin-5-yl)propanamide

N-(1,2,4-triazin-5-yl)propanamide (PubChem CID 121358009) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is N-(1,2,4-triazin-5-yl)propanamide.

Molecular Properties

Compound NameN-(1,2,4-triazin-5-yl)propanamide
PubChem CID121358009
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC NameN-(1,2,4-triazin-5-yl)propanamide
SMILESCCC(=O)Nc1cnncn1
InChIInChI=1S/C6H8N4O/c1-2-6(11)10-5-3-8-9-4-7-5/h3-4H,2H2,1H3,(H,7,9,10,11)
InChIKeyFTFSRCADKOKENT-UHFFFAOYSA-N
XLogP0.22
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazin-5-yl)propanamide?
The IUPAC name of N-(1,2,4-triazin-5-yl)propanamide (CID 121358009) is N-(1,2,4-triazin-5-yl)propanamide.
What is the SMILES notation for N-(1,2,4-triazin-5-yl)propanamide?
The canonical SMILES for N-(1,2,4-triazin-5-yl)propanamide is CCC(=O)Nc1cnncn1.
What is the InChIKey of N-(1,2,4-triazin-5-yl)propanamide?
The InChIKey is FTFSRCADKOKENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-2-6(11)10-5-3-8-9-4-7-5/h3-4H,2H2,1H3,(H,7,9,10,11).
What are the key properties of N-(1,2,4-triazin-5-yl)propanamide?
N-(1,2,4-triazin-5-yl)propanamide has a molecular weight of 152.16 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazin-5-yl)propanamide is sourced from PubChem (CID 121358009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).