1-tert-butyl-3-(cycloheptylamino)pyrazin-2-one

C15H25N3O — CID 62939668

IUPAC1-tert-butyl-3-(cycloheptylamino)pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NC2CCCCCC2)c1=O
InChIInChI=1S/C15H25N3O/c1-15(2,3)18-11-10-16-13(14(18)19)17-12-8-6-4-5-7-9-12/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyBNOZHIDRUXQZKE-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.13
Rot. Bonds2

About 1-tert-butyl-3-(cycloheptylamino)pyrazin-2-one

1-tert-butyl-3-(cycloheptylamino)pyrazin-2-one (PubChem CID 62939668) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-tert-butyl-3-(cycloheptylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-(cycloheptylamino)pyrazin-2-one
PubChem CID62939668
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-tert-butyl-3-(cycloheptylamino)pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NC2CCCCCC2)c1=O
InChIInChI=1S/C15H25N3O/c1-15(2,3)18-11-10-16-13(14(18)19)17-12-8-6-4-5-7-9-12/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyBNOZHIDRUXQZKE-UHFFFAOYSA-N
XLogP3.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-3-(cyclooctylamino)pyrazin-2-one
CID 62938781
1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one
CID 62927934
1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one
CID 63321025
1-tert-butyl-3-[(3-methylcyclobutyl)amino]pyrazin-2-one
CID 113467280
1-tert-butyl-3-(pyrrolidin-3-ylamino)pyrazin-2-one
CID 62929010
1-tert-butyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one
CID 63661414
3-(cycloheptylamino)-1-propan-2-ylpyrazin-2-one
CID 62939319
3-(cyclohexylamino)-1-cyclopropylpyrazin-2-one
CID 62940870
1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one
CID 62938769
3-[(2-amino-2-cyclopropylethyl)amino]-1-tert-butylpyrazin-2-one
CID 55243356
3-(cyclobutylamino)-1-cyclopropylpyrazin-2-one
CID 62927759
1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938433

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(cycloheptylamino)pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-(cycloheptylamino)pyrazin-2-one (CID 62939668) is 1-tert-butyl-3-(cycloheptylamino)pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-(cycloheptylamino)pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-(cycloheptylamino)pyrazin-2-one is CC(C)(C)n1ccnc(NC2CCCCCC2)c1=O.
What is the InChIKey of 1-tert-butyl-3-(cycloheptylamino)pyrazin-2-one?
The InChIKey is BNOZHIDRUXQZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)18-11-10-16-13(14(18)19)17-12-8-6-4-5-7-9-12/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 1-tert-butyl-3-(cycloheptylamino)pyrazin-2-one?
1-tert-butyl-3-(cycloheptylamino)pyrazin-2-one has a molecular weight of 263.38 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(cycloheptylamino)pyrazin-2-one is sourced from PubChem (CID 62939668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).