N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyrazin-2-amine

C18H25N5O — CID 71862376

IUPACN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(N(C)C3C4CCOC4C3(C)C)n2)n1
InChIInChI=1S/C18H25N5O/c1-11-8-12(2)23(21-11)15-10-19-9-14(20-15)22(5)16-13-6-7-24-17(13)18(16,3)4/h8-10,13,16-17H,6-7H2,1-5H3
InChIKeyPRIBNTUFPLVYQL-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.53
Rot. Bonds3

About N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyrazin-2-amine

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyrazin-2-amine (PubChem CID 71862376) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyrazin-2-amine
PubChem CID71862376
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(N(C)C3C4CCOC4C3(C)C)n2)n1
InChIInChI=1S/C18H25N5O/c1-11-8-12(2)23(21-11)15-10-19-9-14(20-15)22(5)16-13-6-7-24-17(13)18(16,3)4/h8-10,13,16-17H,6-7H2,1-5H3
InChIKeyPRIBNTUFPLVYQL-UHFFFAOYSA-N
XLogP2.53
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyrazin-2-amine?
The IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyrazin-2-amine (CID 71862376) is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyrazin-2-amine.
What is the SMILES notation for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyrazin-2-amine?
The canonical SMILES for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyrazin-2-amine is Cc1cc(C)n(-c2cncc(N(C)C3C4CCOC4C3(C)C)n2)n1.
What is the InChIKey of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyrazin-2-amine?
The InChIKey is PRIBNTUFPLVYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-11-8-12(2)23(21-11)15-10-19-9-14(20-15)22(5)16-13-6-7-24-17(13)18(16,3)4/h8-10,13,16-17H,6-7H2,1-5H3.
What are the key properties of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyrazin-2-amine?
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyrazin-2-amine has a molecular weight of 327.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 71862376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).