5-[5-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

C17H15N9O — CID 56944029

IUPAC5-[5-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4noc(-c5cn[nH]n5)n4)CCC3)cn2)cn1
InChIInChI=1S/C17H15N9O/c18-16-20-6-10(7-21-16)12-3-2-11(8-19-12)17(4-1-5-17)15-23-14(27-25-15)13-9-22-26-24-13/h2-3,6-9H,1,4-5H2,(H2,18,20,21)(H,22,24,26)
InChIKeyZVUHHDQEASGYJQ-UHFFFAOYSA-N
MW361.37 g/mol
LogP1.76
Rot. Bonds4

About 5-[5-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 56944029) has the molecular formula C17H15N9O and a molecular weight of 361.37 g/mol. Its IUPAC name is 5-[5-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID56944029
Molecular FormulaC17H15N9O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name5-[5-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4noc(-c5cn[nH]n5)n4)CCC3)cn2)cn1
InChIInChI=1S/C17H15N9O/c18-16-20-6-10(7-21-16)12-3-2-11(8-19-12)17(4-1-5-17)15-23-14(27-25-15)13-9-22-26-24-13/h2-3,6-9H,1,4-5H2,(H2,18,20,21)(H,22,24,26)
InChIKeyZVUHHDQEASGYJQ-UHFFFAOYSA-N
XLogP1.76
TPSA145.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 56944029) is 5-[5-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(C3(c4noc(-c5cn[nH]n5)n4)CCC3)cn2)cn1.
What is the InChIKey of 5-[5-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is ZVUHHDQEASGYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N9O/c18-16-20-6-10(7-21-16)12-3-2-11(8-19-12)17(4-1-5-17)15-23-14(27-25-15)13-9-22-26-24-13/h2-3,6-9H,1,4-5H2,(H2,18,20,21)(H,22,24,26).
What are the key properties of 5-[5-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 361.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 56944029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).