3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazole

C15H13N7O — CID 146102250

IUPAC3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazole
SMILESCc1nc2ccccn2c1-c1nc(-c2n[nH]c(C3CC3)n2)no1
InChIInChI=1S/C15H13N7O/c1-8-11(22-7-3-2-4-10(22)16-8)15-18-14(21-23-15)13-17-12(19-20-13)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,17,19,20)
InChIKeyKWOCSCKJEYTPDS-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.36
Rot. Bonds3

About 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazole

3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazole (PubChem CID 146102250) has the molecular formula C15H13N7O and a molecular weight of 307.32 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazole
PubChem CID146102250
Molecular FormulaC15H13N7O
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazole
SMILESCc1nc2ccccn2c1-c1nc(-c2n[nH]c(C3CC3)n2)no1
InChIInChI=1S/C15H13N7O/c1-8-11(22-7-3-2-4-10(22)16-8)15-18-14(21-23-15)13-17-12(19-20-13)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,17,19,20)
InChIKeyKWOCSCKJEYTPDS-UHFFFAOYSA-N
XLogP2.36
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazole (CID 146102250) is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazole is Cc1nc2ccccn2c1-c1nc(-c2n[nH]c(C3CC3)n2)no1.
What is the InChIKey of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazole?
The InChIKey is KWOCSCKJEYTPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O/c1-8-11(22-7-3-2-4-10(22)16-8)15-18-14(21-23-15)13-17-12(19-20-13)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,17,19,20).
What are the key properties of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazole?
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazole has a molecular weight of 307.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 146102250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).