N-(1,2,4-oxadiazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C9H8N6O — CID 106403533

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESc1ccn2nc(NCc3ncon3)nc2c1
InChIInChI=1S/C9H8N6O/c1-2-4-15-8(3-1)12-9(13-15)10-5-7-11-6-16-14-7/h1-4,6H,5H2,(H,10,13)
InChIKeyUBBAFBPYPQYXJA-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.72
Rot. Bonds3

About N-(1,2,4-oxadiazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-(1,2,4-oxadiazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 106403533) has the molecular formula C9H8N6O and a molecular weight of 216.20 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID106403533
Molecular FormulaC9H8N6O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESc1ccn2nc(NCc3ncon3)nc2c1
InChIInChI=1S/C9H8N6O/c1-2-4-15-8(3-1)12-9(13-15)10-5-7-11-6-16-14-7/h1-4,6H,5H2,(H,10,13)
InChIKeyUBBAFBPYPQYXJA-UHFFFAOYSA-N
XLogP0.72
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol
CID 114332619
8-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114184520
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 107095635
N-(1,2,4-oxadiazol-3-ylmethyl)imidazo[1,2-a]pyridin-5-amine
CID 106403080
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114128046
[1,2,4]triazolo[1,5-a]pyridin-2-ylmethanamine
CID 71743599
2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine
CID 106411968
5-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)pentanamide
CID 106239011
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 114184358
2,3-dimethyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)butan-2-ol
CID 114156351
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine
CID 106405493
2-methyl-1-methylsulfanyl-3-([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)propan-2-ol
CID 102677502

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 106403533) is N-(1,2,4-oxadiazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is c1ccn2nc(NCc3ncon3)nc2c1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is UBBAFBPYPQYXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O/c1-2-4-15-8(3-1)12-9(13-15)10-5-7-11-6-16-14-7/h1-4,6H,5H2,(H,10,13).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(1,2,4-oxadiazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 216.20 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 106403533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).