N-[5-[1-(pyridin-2-ylmethyl)triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C18H16N8O — CID 44625211

IUPACN-[5-[1-(pyridin-2-ylmethyl)triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3cn(Cc4ccccn4)nn3)n2n1)C1CC1
InChIInChI=1S/C18H16N8O/c27-17(12-7-8-12)21-18-20-16-6-3-5-15(26(16)23-18)14-11-25(24-22-14)10-13-4-1-2-9-19-13/h1-6,9,11-12H,7-8,10H2,(H,21,23,27)
InChIKeyPNHFMSNNSCKNRB-UHFFFAOYSA-N
MW360.38 g/mol
LogP1.78
Rot. Bonds5

About N-[5-[1-(pyridin-2-ylmethyl)triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[1-(pyridin-2-ylmethyl)triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44625211) has the molecular formula C18H16N8O and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[5-[1-(pyridin-2-ylmethyl)triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-(pyridin-2-ylmethyl)triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44625211
Molecular FormulaC18H16N8O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC NameN-[5-[1-(pyridin-2-ylmethyl)triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3cn(Cc4ccccn4)nn3)n2n1)C1CC1
InChIInChI=1S/C18H16N8O/c27-17(12-7-8-12)21-18-20-16-6-3-5-15(26(16)23-18)14-11-25(24-22-14)10-13-4-1-2-9-19-13/h1-6,9,11-12H,7-8,10H2,(H,21,23,27)
InChIKeyPNHFMSNNSCKNRB-UHFFFAOYSA-N
XLogP1.78
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(pyridin-2-ylmethyl)triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[1-(pyridin-2-ylmethyl)triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44625211) is N-[5-[1-(pyridin-2-ylmethyl)triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[1-(pyridin-2-ylmethyl)triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[1-(pyridin-2-ylmethyl)triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3cn(Cc4ccccn4)nn3)n2n1)C1CC1.
What is the InChIKey of N-[5-[1-(pyridin-2-ylmethyl)triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is PNHFMSNNSCKNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O/c27-17(12-7-8-12)21-18-20-16-6-3-5-15(26(16)23-18)14-11-25(24-22-14)10-13-4-1-2-9-19-13/h1-6,9,11-12H,7-8,10H2,(H,21,23,27).
What are the key properties of N-[5-[1-(pyridin-2-ylmethyl)triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[1-(pyridin-2-ylmethyl)triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 360.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(pyridin-2-ylmethyl)triazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44625211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).