3-[3-(diethylamino)propylamino]-4H-1,2,4-triazin-5-one

C10H19N5O — CID 136779926

IUPAC3-[3-(diethylamino)propylamino]-4H-1,2,4-triazin-5-one
SMILESCCN(CC)CCCNc1nncc(=O)[nH]1
InChIInChI=1S/C10H19N5O/c1-3-15(4-2)7-5-6-11-10-13-9(16)8-12-14-10/h8H,3-7H2,1-2H3,(H2,11,13,14,16)
InChIKeyJFTSAQPGVNNGFW-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.31
Rot. Bonds7

About 3-[3-(diethylamino)propylamino]-4H-1,2,4-triazin-5-one

3-[3-(diethylamino)propylamino]-4H-1,2,4-triazin-5-one (PubChem CID 136779926) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-[3-(diethylamino)propylamino]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[3-(diethylamino)propylamino]-4H-1,2,4-triazin-5-one
PubChem CID136779926
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name3-[3-(diethylamino)propylamino]-4H-1,2,4-triazin-5-one
SMILESCCN(CC)CCCNc1nncc(=O)[nH]1
InChIInChI=1S/C10H19N5O/c1-3-15(4-2)7-5-6-11-10-13-9(16)8-12-14-10/h8H,3-7H2,1-2H3,(H2,11,13,14,16)
InChIKeyJFTSAQPGVNNGFW-UHFFFAOYSA-N
XLogP0.31
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propylamino]-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[3-(diethylamino)propylamino]-4H-1,2,4-triazin-5-one (CID 136779926) is 3-[3-(diethylamino)propylamino]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[3-(diethylamino)propylamino]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[3-(diethylamino)propylamino]-4H-1,2,4-triazin-5-one is CCN(CC)CCCNc1nncc(=O)[nH]1.
What is the InChIKey of 3-[3-(diethylamino)propylamino]-4H-1,2,4-triazin-5-one?
The InChIKey is JFTSAQPGVNNGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-15(4-2)7-5-6-11-10-13-9(16)8-12-14-10/h8H,3-7H2,1-2H3,(H2,11,13,14,16).
What are the key properties of 3-[3-(diethylamino)propylamino]-4H-1,2,4-triazin-5-one?
3-[3-(diethylamino)propylamino]-4H-1,2,4-triazin-5-one has a molecular weight of 225.30 g/mol, XLogP of 0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propylamino]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 136779926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).