N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-1,2,4-oxadiazol-5-amine

C15H16N6O — CID 56823953

IUPACN-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-1,2,4-oxadiazol-5-amine
SMILESCc1nc2n(n1)CC(Nc1nc(-c3ccccc3)no1)CC2
InChIInChI=1S/C15H16N6O/c1-10-16-13-8-7-12(9-21(13)19-10)17-15-18-14(20-22-15)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,17,18,20)
InChIKeyLQHJEBZBNZYWPK-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.06
Rot. Bonds3

About N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-1,2,4-oxadiazol-5-amine

N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-1,2,4-oxadiazol-5-amine (PubChem CID 56823953) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-1,2,4-oxadiazol-5-amine
PubChem CID56823953
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC NameN-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-1,2,4-oxadiazol-5-amine
SMILESCc1nc2n(n1)CC(Nc1nc(-c3ccccc3)no1)CC2
InChIInChI=1S/C15H16N6O/c1-10-16-13-8-7-12(9-21(13)19-10)17-15-18-14(20-22-15)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,17,18,20)
InChIKeyLQHJEBZBNZYWPK-UHFFFAOYSA-N
XLogP2.06
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-1,2,4-oxadiazol-5-amine (CID 56823953) is N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-1,2,4-oxadiazol-5-amine is Cc1nc2n(n1)CC(Nc1nc(-c3ccccc3)no1)CC2.
What is the InChIKey of N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-1,2,4-oxadiazol-5-amine?
The InChIKey is LQHJEBZBNZYWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-10-16-13-8-7-12(9-21(13)19-10)17-15-18-14(20-22-15)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,17,18,20).
What are the key properties of N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-1,2,4-oxadiazol-5-amine?
N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-1,2,4-oxadiazol-5-amine has a molecular weight of 296.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 56823953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).