6-methyl-8-[2-(4-methylpiperazin-1-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

C14H22N6O — CID 71002954

IUPAC6-methyl-8-[2-(4-methylpiperazin-1-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1cc(NCCN2CCN(C)CC2)c2n[nH]c(=O)n2c1
InChIInChI=1S/C14H22N6O/c1-11-9-12(13-16-17-14(21)20(13)10-11)15-3-4-19-7-5-18(2)6-8-19/h9-10,15H,3-8H2,1-2H3,(H,17,21)
InChIKeyMMULXMIJKQVLKR-UHFFFAOYSA-N
MW290.37 g/mol
LogP-0.01
Rot. Bonds4

About 6-methyl-8-[2-(4-methylpiperazin-1-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

6-methyl-8-[2-(4-methylpiperazin-1-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 71002954) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-methyl-8-[2-(4-methylpiperazin-1-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name6-methyl-8-[2-(4-methylpiperazin-1-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID71002954
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name6-methyl-8-[2-(4-methylpiperazin-1-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1cc(NCCN2CCN(C)CC2)c2n[nH]c(=O)n2c1
InChIInChI=1S/C14H22N6O/c1-11-9-12(13-16-17-14(21)20(13)10-11)15-3-4-19-7-5-18(2)6-8-19/h9-10,15H,3-8H2,1-2H3,(H,17,21)
InChIKeyMMULXMIJKQVLKR-UHFFFAOYSA-N
XLogP-0.01
TPSA68.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-[2-(4-methylpiperazin-1-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 6-methyl-8-[2-(4-methylpiperazin-1-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 71002954) is 6-methyl-8-[2-(4-methylpiperazin-1-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 6-methyl-8-[2-(4-methylpiperazin-1-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 6-methyl-8-[2-(4-methylpiperazin-1-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1cc(NCCN2CCN(C)CC2)c2n[nH]c(=O)n2c1.
What is the InChIKey of 6-methyl-8-[2-(4-methylpiperazin-1-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is MMULXMIJKQVLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-11-9-12(13-16-17-14(21)20(13)10-11)15-3-4-19-7-5-18(2)6-8-19/h9-10,15H,3-8H2,1-2H3,(H,17,21).
What are the key properties of 6-methyl-8-[2-(4-methylpiperazin-1-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one?
6-methyl-8-[2-(4-methylpiperazin-1-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 290.37 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-[2-(4-methylpiperazin-1-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 71002954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).