1-cyclopropyl-2-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone

C18H27N5O — CID 158980152

IUPAC1-cyclopropyl-2-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
SMILESCN(C)CC(C)(C)CNc1cccc2nc(CC(=O)C3CC3)nn12
InChIInChI=1S/C18H27N5O/c1-18(2,12-22(3)4)11-19-16-6-5-7-17-20-15(21-23(16)17)10-14(24)13-8-9-13/h5-7,13,19H,8-12H2,1-4H3
InChIKeyJOWVSFWAARIICH-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.25
Rot. Bonds8

About 1-cyclopropyl-2-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone

1-cyclopropyl-2-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone (PubChem CID 158980152) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-cyclopropyl-2-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
PubChem CID158980152
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name1-cyclopropyl-2-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
SMILESCN(C)CC(C)(C)CNc1cccc2nc(CC(=O)C3CC3)nn12
InChIInChI=1S/C18H27N5O/c1-18(2,12-22(3)4)11-19-16-6-5-7-17-20-15(21-23(16)17)10-14(24)13-8-9-13/h5-7,13,19H,8-12H2,1-4H3
InChIKeyJOWVSFWAARIICH-UHFFFAOYSA-N
XLogP2.25
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone (CID 158980152) is 1-cyclopropyl-2-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone is CN(C)CC(C)(C)CNc1cccc2nc(CC(=O)C3CC3)nn12.
What is the InChIKey of 1-cyclopropyl-2-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone?
The InChIKey is JOWVSFWAARIICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-18(2,12-22(3)4)11-19-16-6-5-7-17-20-15(21-23(16)17)10-14(24)13-8-9-13/h5-7,13,19H,8-12H2,1-4H3.
What are the key properties of 1-cyclopropyl-2-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone?
1-cyclopropyl-2-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone has a molecular weight of 329.45 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone is sourced from PubChem (CID 158980152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).