6-methyl-8-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C13H20N6O — CID 71002829

IUPAC6-methyl-8-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1cc(NCCN2CCNCC2)c2n[nH]c(=O)n2c1
InChIInChI=1S/C13H20N6O/c1-10-8-11(12-16-17-13(20)19(12)9-10)15-4-7-18-5-2-14-3-6-18/h8-9,14-15H,2-7H2,1H3,(H,17,20)
InChIKeyDBXQGCVURZJVNC-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.35
Rot. Bonds4

About 6-methyl-8-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

6-methyl-8-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 71002829) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-methyl-8-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name6-methyl-8-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID71002829
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name6-methyl-8-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1cc(NCCN2CCNCC2)c2n[nH]c(=O)n2c1
InChIInChI=1S/C13H20N6O/c1-10-8-11(12-16-17-13(20)19(12)9-10)15-4-7-18-5-2-14-3-6-18/h8-9,14-15H,2-7H2,1H3,(H,17,20)
InChIKeyDBXQGCVURZJVNC-UHFFFAOYSA-N
XLogP-0.35
TPSA77.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 6-methyl-8-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 71002829) is 6-methyl-8-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 6-methyl-8-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 6-methyl-8-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1cc(NCCN2CCNCC2)c2n[nH]c(=O)n2c1.
What is the InChIKey of 6-methyl-8-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is DBXQGCVURZJVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-10-8-11(12-16-17-13(20)19(12)9-10)15-4-7-18-5-2-14-3-6-18/h8-9,14-15H,2-7H2,1H3,(H,17,20).
What are the key properties of 6-methyl-8-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
6-methyl-8-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 276.34 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 71002829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).