1-[7-(dimethylamino)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanone

C10H16N4O — CID 83883941

IUPAC1-[7-(dimethylamino)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1nnc2n1CCC(N(C)C)C2
InChIInChI=1S/C10H16N4O/c1-7(15)10-12-11-9-6-8(13(2)3)4-5-14(9)10/h8H,4-6H2,1-3H3
InChIKeyACICWTSUZAKAOL-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.36
Rot. Bonds2

About 1-[7-(dimethylamino)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanone

1-[7-(dimethylamino)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanone (PubChem CID 83883941) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[7-(dimethylamino)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[7-(dimethylamino)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanone
PubChem CID83883941
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-[7-(dimethylamino)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1nnc2n1CCC(N(C)C)C2
InChIInChI=1S/C10H16N4O/c1-7(15)10-12-11-9-6-8(13(2)3)4-5-14(9)10/h8H,4-6H2,1-3H3
InChIKeyACICWTSUZAKAOL-UHFFFAOYSA-N
XLogP0.36
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(dimethylamino)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanone?
The IUPAC name of 1-[7-(dimethylamino)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanone (CID 83883941) is 1-[7-(dimethylamino)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[7-(dimethylamino)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[7-(dimethylamino)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanone is CC(=O)c1nnc2n1CCC(N(C)C)C2.
What is the InChIKey of 1-[7-(dimethylamino)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanone?
The InChIKey is ACICWTSUZAKAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(15)10-12-11-9-6-8(13(2)3)4-5-14(9)10/h8H,4-6H2,1-3H3.
What are the key properties of 1-[7-(dimethylamino)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanone?
1-[7-(dimethylamino)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanone has a molecular weight of 208.26 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(dimethylamino)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 83883941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).