N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine

C15H20N6O — CID 70754903

IUPACN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nnc(CN(C)c2cc(C)nc3c(C)c(C)nn23)o1
InChIInChI=1S/C15H20N6O/c1-6-12-17-18-13(22-12)8-20(5)14-7-9(2)16-15-10(3)11(4)19-21(14)15/h7H,6,8H2,1-5H3
InChIKeyCYNFEFIFCOFQNI-UHFFFAOYSA-N
MW300.37 g/mol
LogP2.24
Rot. Bonds4

About N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70754903) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70754903
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nnc(CN(C)c2cc(C)nc3c(C)c(C)nn23)o1
InChIInChI=1S/C15H20N6O/c1-6-12-17-18-13(22-12)8-20(5)14-7-9(2)16-15-10(3)11(4)19-21(14)15/h7H,6,8H2,1-5H3
InChIKeyCYNFEFIFCOFQNI-UHFFFAOYSA-N
XLogP2.24
TPSA72.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 70754903) is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine is CCc1nnc(CN(C)c2cc(C)nc3c(C)c(C)nn23)o1.
What is the InChIKey of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CYNFEFIFCOFQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-6-12-17-18-13(22-12)8-20(5)14-7-9(2)16-15-10(3)11(4)19-21(14)15/h7H,6,8H2,1-5H3.
What are the key properties of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 300.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70754903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).