2-(8-azabicyclo[3.2.1]octan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;dihydrochloride

C15H21Cl2N5O — CID 119856904

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CC2CCC(C1)N2)Nc1nnc2ccccn12
InChIInChI=1S/C15H19N5O.2ClH/c21-14(9-10-7-11-4-5-12(8-10)16-11)17-15-19-18-13-3-1-2-6-20(13)15;;/h1-3,6,10-12,16H,4-5,7-9H2,(H,17,19,21);2*1H
InChIKeyVAKMTDSTCXUIQG-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.43
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;dihydrochloride (PubChem CID 119856904) has the molecular formula C15H21Cl2N5O and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;dihydrochloride
PubChem CID119856904
Molecular FormulaC15H21Cl2N5O
Molecular Weight358.27 g/mol
Exact Mass357.11
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CC2CCC(C1)N2)Nc1nnc2ccccn12
InChIInChI=1S/C15H19N5O.2ClH/c21-14(9-10-7-11-4-5-12(8-10)16-11)17-15-19-18-13-3-1-2-6-20(13)15;;/h1-3,6,10-12,16H,4-5,7-9H2,(H,17,19,21);2*1H
InChIKeyVAKMTDSTCXUIQG-UHFFFAOYSA-N
XLogP2.43
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119673021
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide
CID 79607846
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-iodophenyl)acetamide
CID 79606850
4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride
CID 119856894
2-(1-hydroxycyclopentyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
CID 111536814
2-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
CID 53204392
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119687681
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-difluorophenyl)acetamide
CID 79607934
3-piperidin-3-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 119856901
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylbenzamide
CID 119714094
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119685001
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 119846883

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;dihydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;dihydrochloride (CID 119856904) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;dihydrochloride is Cl.Cl.O=C(CC1CC2CCC(C1)N2)Nc1nnc2ccccn12.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;dihydrochloride?
The InChIKey is VAKMTDSTCXUIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.2ClH/c21-14(9-10-7-11-4-5-12(8-10)16-11)17-15-19-18-13-3-1-2-6-20(13)15;;/h1-3,6,10-12,16H,4-5,7-9H2,(H,17,19,21);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119856904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).