3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-ethyl-1,2,4-oxadiazole

C12H15N5O — CID 75419966

IUPAC3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(CN2CCc3cncnc3C2)no1
InChIInChI=1S/C12H15N5O/c1-2-12-15-11(16-18-12)7-17-4-3-9-5-13-8-14-10(9)6-17/h5,8H,2-4,6-7H2,1H3
InChIKeyKFFCJVSEUKGWRF-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.98
Rot. Bonds3

About 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-ethyl-1,2,4-oxadiazole

3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-ethyl-1,2,4-oxadiazole (PubChem CID 75419966) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-ethyl-1,2,4-oxadiazole
PubChem CID75419966
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-ethyl-1,2,4-oxadiazole
SMILESCCc1nc(CN2CCc3cncnc3C2)no1
InChIInChI=1S/C12H15N5O/c1-2-12-15-11(16-18-12)7-17-4-3-9-5-13-8-14-10(9)6-17/h5,8H,2-4,6-7H2,1H3
InChIKeyKFFCJVSEUKGWRF-UHFFFAOYSA-N
XLogP0.98
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-ethyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-ethyl-1,2,4-oxadiazole?
The IUPAC name of 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-ethyl-1,2,4-oxadiazole (CID 75419966) is 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-ethyl-1,2,4-oxadiazole is CCc1nc(CN2CCc3cncnc3C2)no1.
What is the InChIKey of 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-ethyl-1,2,4-oxadiazole?
The InChIKey is KFFCJVSEUKGWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-12-15-11(16-18-12)7-17-4-3-9-5-13-8-14-10(9)6-17/h5,8H,2-4,6-7H2,1H3.
What are the key properties of 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-ethyl-1,2,4-oxadiazole?
3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-ethyl-1,2,4-oxadiazole has a molecular weight of 245.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 75419966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).