7-methyl-N-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C12H18N6 — CID 83025761

IUPAC7-methyl-N-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccn2nc(NN3CCN(C)CC3)nc2c1
InChIInChI=1S/C12H18N6/c1-10-3-4-18-11(9-10)13-12(15-18)14-17-7-5-16(2)6-8-17/h3-4,9H,5-8H2,1-2H3,(H,14,15)
InChIKeyGNYXFYWEFMHQCX-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.61
Rot. Bonds2

About 7-methyl-N-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

7-methyl-N-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 83025761) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 7-methyl-N-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name7-methyl-N-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID83025761
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name7-methyl-N-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccn2nc(NN3CCN(C)CC3)nc2c1
InChIInChI=1S/C12H18N6/c1-10-3-4-18-11(9-10)13-12(15-18)14-17-7-5-16(2)6-8-17/h3-4,9H,5-8H2,1-2H3,(H,14,15)
InChIKeyGNYXFYWEFMHQCX-UHFFFAOYSA-N
XLogP0.61
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 7-methyl-N-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 83025761) is 7-methyl-N-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 7-methyl-N-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 7-methyl-N-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1ccn2nc(NN3CCN(C)CC3)nc2c1.
What is the InChIKey of 7-methyl-N-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is GNYXFYWEFMHQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-10-3-4-18-11(9-10)13-12(15-18)14-17-7-5-16(2)6-8-17/h3-4,9H,5-8H2,1-2H3,(H,14,15).
What are the key properties of 7-methyl-N-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
7-methyl-N-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 246.32 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 83025761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).