5-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C13H11N5O — CID 63259812

IUPAC5-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCc1cccnc1-c1noc(-c2ccc(N)nc2)n1
InChIInChI=1S/C13H11N5O/c1-8-3-2-6-15-11(8)12-17-13(19-18-12)9-4-5-10(14)16-7-9/h2-7H,1H3,(H2,14,16)
InChIKeyBAUHRZJGWBSGCW-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.08
Rot. Bonds2

About 5-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

5-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 63259812) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 5-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID63259812
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name5-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCc1cccnc1-c1noc(-c2ccc(N)nc2)n1
InChIInChI=1S/C13H11N5O/c1-8-3-2-6-15-11(8)12-17-13(19-18-12)9-4-5-10(14)16-7-9/h2-7H,1H3,(H2,14,16)
InChIKeyBAUHRZJGWBSGCW-UHFFFAOYSA-N
XLogP2.08
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 63259812) is 5-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Cc1cccnc1-c1noc(-c2ccc(N)nc2)n1.
What is the InChIKey of 5-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is BAUHRZJGWBSGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-8-3-2-6-15-11(8)12-17-13(19-18-12)9-4-5-10(14)16-7-9/h2-7H,1H3,(H2,14,16).
What are the key properties of 5-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
5-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 253.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 63259812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).