N-ethyl-N-methyl-6-(4-phenyl-1,3-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine

C18H17N5O — CID 23647328

IUPACN-ethyl-N-methyl-6-(4-phenyl-1,3-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCCN(C)c1nnc2ccc(-c3ocnc3-c3ccccc3)cn12
InChIInChI=1S/C18H17N5O/c1-3-22(2)18-21-20-15-10-9-14(11-23(15)18)17-16(19-12-24-17)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
InChIKeyLSPZXWPKQKGQSA-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.51
Rot. Bonds4

About N-ethyl-N-methyl-6-(4-phenyl-1,3-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine

N-ethyl-N-methyl-6-(4-phenyl-1,3-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 23647328) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-ethyl-N-methyl-6-(4-phenyl-1,3-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-6-(4-phenyl-1,3-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID23647328
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-ethyl-N-methyl-6-(4-phenyl-1,3-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESCCN(C)c1nnc2ccc(-c3ocnc3-c3ccccc3)cn12
InChIInChI=1S/C18H17N5O/c1-3-22(2)18-21-20-15-10-9-14(11-23(15)18)17-16(19-12-24-17)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
InChIKeyLSPZXWPKQKGQSA-UHFFFAOYSA-N
XLogP3.51
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-6-(4-phenyl-1,3-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The IUPAC name of N-ethyl-N-methyl-6-(4-phenyl-1,3-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 23647328) is N-ethyl-N-methyl-6-(4-phenyl-1,3-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for N-ethyl-N-methyl-6-(4-phenyl-1,3-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for N-ethyl-N-methyl-6-(4-phenyl-1,3-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine is CCN(C)c1nnc2ccc(-c3ocnc3-c3ccccc3)cn12.
What is the InChIKey of N-ethyl-N-methyl-6-(4-phenyl-1,3-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is LSPZXWPKQKGQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-3-22(2)18-21-20-15-10-9-14(11-23(15)18)17-16(19-12-24-17)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-6-(4-phenyl-1,3-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
N-ethyl-N-methyl-6-(4-phenyl-1,3-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 319.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-6-(4-phenyl-1,3-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine is sourced from PubChem (CID 23647328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).