2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine

C10H12N4O — CID 62069885

IUPAC2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCc1ccc(-c2nnc(CCN)o2)cn1
InChIInChI=1S/C10H12N4O/c1-7-2-3-8(6-12-7)10-14-13-9(15-10)4-5-11/h2-3,6H,4-5,11H2,1H3
InChIKeySXEWTXCIIGKGKA-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.94
Rot. Bonds3

About 2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine

2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 62069885) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID62069885
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCc1ccc(-c2nnc(CCN)o2)cn1
InChIInChI=1S/C10H12N4O/c1-7-2-3-8(6-12-7)10-14-13-9(15-10)4-5-11/h2-3,6H,4-5,11H2,1H3
InChIKeySXEWTXCIIGKGKA-UHFFFAOYSA-N
XLogP0.94
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 62069885) is 2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine is Cc1ccc(-c2nnc(CCN)o2)cn1.
What is the InChIKey of 2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is SXEWTXCIIGKGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7-2-3-8(6-12-7)10-14-13-9(15-10)4-5-11/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine?
2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 204.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 62069885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).