N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C14H14N6O — CID 71705183

IUPACN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H14N6O/c21-14(13-9-4-3-5-10(9)16-19-13)15-8-12-18-17-11-6-1-2-7-20(11)12/h1-2,6-7H,3-5,8H2,(H,15,21)(H,16,19)
InChIKeyWLQBYSJMUACTKG-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.87
Rot. Bonds3

About N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 71705183) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID71705183
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC NameN-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H14N6O/c21-14(13-9-4-3-5-10(9)16-19-13)15-8-12-18-17-11-6-1-2-7-20(11)12/h1-2,6-7H,3-5,8H2,(H,15,21)(H,16,19)
InChIKeyWLQBYSJMUACTKG-UHFFFAOYSA-N
XLogP0.87
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 99870982
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
6-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyridazine-3-carboxamide
CID 30602417
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 61274777
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 44667187
N-[(2-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388826
N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 138380731
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110630950
2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021173
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688186
N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 40709589
6-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 30289705

Frequently Asked Questions

What is the IUPAC name of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 71705183) is N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(NCc1nnc2ccccn12)c1n[nH]c2c1CCC2.
What is the InChIKey of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is WLQBYSJMUACTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c21-14(13-9-4-3-5-10(9)16-19-13)15-8-12-18-17-11-6-1-2-7-20(11)12/h1-2,6-7H,3-5,8H2,(H,15,21)(H,16,19).
What are the key properties of N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 71705183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).