7-N-methyl-7-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine

C13H20N6 — CID 82555320

IUPAC7-N-methyl-7-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine
SMILESCN1CCC(N(C)c2ccn3nc(N)nc3c2)CC1
InChIInChI=1S/C13H20N6/c1-17-6-3-10(4-7-17)18(2)11-5-8-19-12(9-11)15-13(14)16-19/h5,8-10H,3-4,6-7H2,1-2H3,(H2,14,16)
InChIKeyXWORWJKFSVAQML-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.84
Rot. Bonds2

About 7-N-methyl-7-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine

7-N-methyl-7-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine (PubChem CID 82555320) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 7-N-methyl-7-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine.

Molecular Properties

Compound Name7-N-methyl-7-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine
PubChem CID82555320
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name7-N-methyl-7-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine
SMILESCN1CCC(N(C)c2ccn3nc(N)nc3c2)CC1
InChIInChI=1S/C13H20N6/c1-17-6-3-10(4-7-17)18(2)11-5-8-19-12(9-11)15-13(14)16-19/h5,8-10H,3-4,6-7H2,1-2H3,(H2,14,16)
InChIKeyXWORWJKFSVAQML-UHFFFAOYSA-N
XLogP0.84
TPSA62.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-N-methyl-7-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine?
The IUPAC name of 7-N-methyl-7-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine (CID 82555320) is 7-N-methyl-7-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine.
What is the SMILES notation for 7-N-methyl-7-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine?
The canonical SMILES for 7-N-methyl-7-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine is CN1CCC(N(C)c2ccn3nc(N)nc3c2)CC1.
What is the InChIKey of 7-N-methyl-7-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine?
The InChIKey is XWORWJKFSVAQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-17-6-3-10(4-7-17)18(2)11-5-8-19-12(9-11)15-13(14)16-19/h5,8-10H,3-4,6-7H2,1-2H3,(H2,14,16).
What are the key properties of 7-N-methyl-7-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine?
7-N-methyl-7-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine has a molecular weight of 260.34 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-methyl-7-N-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2,7-diamine is sourced from PubChem (CID 82555320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).