1-[2-[6-(pyridin-3-ylmethylamino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone

C18H20N6O — CID 118745694

IUPAC1-[2-[6-(pyridin-3-ylmethylamino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nnn2cc(NCc3cccnc3)ccc12
InChIInChI=1S/C18H20N6O/c1-13(25)23-9-3-5-16(23)18-17-7-6-15(12-24(17)22-21-18)20-11-14-4-2-8-19-10-14/h2,4,6-8,10,12,16,20H,3,5,9,11H2,1H3
InChIKeyQMSAWPINYXYVDD-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.42
Rot. Bonds4

About 1-[2-[6-(pyridin-3-ylmethylamino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone

1-[2-[6-(pyridin-3-ylmethylamino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone (PubChem CID 118745694) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[2-[6-(pyridin-3-ylmethylamino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[6-(pyridin-3-ylmethylamino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone
PubChem CID118745694
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-[2-[6-(pyridin-3-ylmethylamino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1nnn2cc(NCc3cccnc3)ccc12
InChIInChI=1S/C18H20N6O/c1-13(25)23-9-3-5-16(23)18-17-7-6-15(12-24(17)22-21-18)20-11-14-4-2-8-19-10-14/h2,4,6-8,10,12,16,20H,3,5,9,11H2,1H3
InChIKeyQMSAWPINYXYVDD-UHFFFAOYSA-N
XLogP2.42
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(pyridin-3-ylmethylamino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-[6-(pyridin-3-ylmethylamino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone (CID 118745694) is 1-[2-[6-(pyridin-3-ylmethylamino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[6-(pyridin-3-ylmethylamino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[6-(pyridin-3-ylmethylamino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1nnn2cc(NCc3cccnc3)ccc12.
What is the InChIKey of 1-[2-[6-(pyridin-3-ylmethylamino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is QMSAWPINYXYVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-13(25)23-9-3-5-16(23)18-17-7-6-15(12-24(17)22-21-18)20-11-14-4-2-8-19-10-14/h2,4,6-8,10,12,16,20H,3,5,9,11H2,1H3.
What are the key properties of 1-[2-[6-(pyridin-3-ylmethylamino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone?
1-[2-[6-(pyridin-3-ylmethylamino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 336.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(pyridin-3-ylmethylamino)triazolo[1,5-a]pyridin-3-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 118745694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).