1-(1,2,4-triazin-5-yl)propan-1-one

C6H7N3O — CID 82418564

IUPAC1-(1,2,4-triazin-5-yl)propan-1-one
SMILESCCC(=O)c1cnncn1
InChIInChI=1S/C6H7N3O/c1-2-6(10)5-3-8-9-4-7-5/h3-4H,2H2,1H3
InChIKeyKJWMNDYIIALXGP-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.46
Rot. Bonds2

About 1-(1,2,4-triazin-5-yl)propan-1-one

1-(1,2,4-triazin-5-yl)propan-1-one (PubChem CID 82418564) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 1-(1,2,4-triazin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,2,4-triazin-5-yl)propan-1-one
PubChem CID82418564
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name1-(1,2,4-triazin-5-yl)propan-1-one
SMILESCCC(=O)c1cnncn1
InChIInChI=1S/C6H7N3O/c1-2-6(10)5-3-8-9-4-7-5/h3-4H,2H2,1H3
InChIKeyKJWMNDYIIALXGP-UHFFFAOYSA-N
XLogP0.46
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1,2,4-triazin-5-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-triazin-5-yl)propan-1-one?
The IUPAC name of 1-(1,2,4-triazin-5-yl)propan-1-one (CID 82418564) is 1-(1,2,4-triazin-5-yl)propan-1-one.
What is the SMILES notation for 1-(1,2,4-triazin-5-yl)propan-1-one?
The canonical SMILES for 1-(1,2,4-triazin-5-yl)propan-1-one is CCC(=O)c1cnncn1.
What is the InChIKey of 1-(1,2,4-triazin-5-yl)propan-1-one?
The InChIKey is KJWMNDYIIALXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-2-6(10)5-3-8-9-4-7-5/h3-4H,2H2,1H3.
What are the key properties of 1-(1,2,4-triazin-5-yl)propan-1-one?
1-(1,2,4-triazin-5-yl)propan-1-one has a molecular weight of 137.14 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-triazin-5-yl)propan-1-one is sourced from PubChem (CID 82418564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).