3-[1-(4-amino-2-pyridinyl)triazol-4-yl]-1-azabicyclo[2.2.2]octan-3-ol

C14H18N6O — CID 167772847

IUPAC3-[1-(4-amino-2-pyridinyl)triazol-4-yl]-1-azabicyclo[2.2.2]octan-3-ol
SMILESNc1ccnc(-n2cc(C3(O)CN4CCC3CC4)nn2)c1
InChIInChI=1S/C14H18N6O/c15-11-1-4-16-13(7-11)20-8-12(17-18-20)14(21)9-19-5-2-10(14)3-6-19/h1,4,7-8,10,21H,2-3,5-6,9H2,(H2,15,16)
InChIKeyQZESDRAYIHPIRU-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.16
Rot. Bonds2

About 3-[1-(4-amino-2-pyridinyl)triazol-4-yl]-1-azabicyclo[2.2.2]octan-3-ol

3-[1-(4-amino-2-pyridinyl)triazol-4-yl]-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 167772847) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-[1-(4-amino-2-pyridinyl)triazol-4-yl]-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name3-[1-(4-amino-2-pyridinyl)triazol-4-yl]-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID167772847
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name3-[1-(4-amino-2-pyridinyl)triazol-4-yl]-1-azabicyclo[2.2.2]octan-3-ol
SMILESNc1ccnc(-n2cc(C3(O)CN4CCC3CC4)nn2)c1
InChIInChI=1S/C14H18N6O/c15-11-1-4-16-13(7-11)20-8-12(17-18-20)14(21)9-19-5-2-10(14)3-6-19/h1,4,7-8,10,21H,2-3,5-6,9H2,(H2,15,16)
InChIKeyQZESDRAYIHPIRU-UHFFFAOYSA-N
XLogP0.16
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[1-(4-amino-2-pyridinyl)triazol-4-yl]-1-azabicyclo[2.2.2]octan-3-ol with MolForge

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Related Compounds

2-(4-piperidin-3-yltriazol-1-yl)pyridin-4-amine
CID 167960921
(3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol
CID 94895351
2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 82695712
2-(4-cyclopentylpiperazin-1-yl)pyridin-4-amine
CID 62367922
2-[(3R)-3-methoxypiperidin-1-yl]pyridin-4-amine
CID 129413992
2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-4-amine
CID 130140544
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-azabicyclo[2.2.2]octan-3-ol
CID 19802584
3-[4-(4-fluorophenyl)phenyl]-1-azabicyclo[2.2.2]octan-3-ol
CID 10357278
2-(3-methylpyrazol-1-yl)pyridin-4-amine
CID 62494645
3-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 12938005
3-(1,3-benzoxazol-2-yl)-1-azabicyclo[2.2.2]octan-3-ol
CID 10105880
4-(2-amino-4-methyl-3-pyridinyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105365733

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-amino-2-pyridinyl)triazol-4-yl]-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 3-[1-(4-amino-2-pyridinyl)triazol-4-yl]-1-azabicyclo[2.2.2]octan-3-ol (CID 167772847) is 3-[1-(4-amino-2-pyridinyl)triazol-4-yl]-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 3-[1-(4-amino-2-pyridinyl)triazol-4-yl]-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 3-[1-(4-amino-2-pyridinyl)triazol-4-yl]-1-azabicyclo[2.2.2]octan-3-ol is Nc1ccnc(-n2cc(C3(O)CN4CCC3CC4)nn2)c1.
What is the InChIKey of 3-[1-(4-amino-2-pyridinyl)triazol-4-yl]-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is QZESDRAYIHPIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c15-11-1-4-16-13(7-11)20-8-12(17-18-20)14(21)9-19-5-2-10(14)3-6-19/h1,4,7-8,10,21H,2-3,5-6,9H2,(H2,15,16).
What are the key properties of 3-[1-(4-amino-2-pyridinyl)triazol-4-yl]-1-azabicyclo[2.2.2]octan-3-ol?
3-[1-(4-amino-2-pyridinyl)triazol-4-yl]-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 286.34 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-amino-2-pyridinyl)triazol-4-yl]-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 167772847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).