tert-butyl 6-[(2-hydroxycyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C15H27N3O3 — CID 103398110

IUPACtert-butyl 6-[(2-hydroxycyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NC2CCCCC2O)C1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-9-8-16-13(10-18)17-11-6-4-5-7-12(11)19/h11-12,19H,4-10H2,1-3H3,(H,16,17)
InChIKeyASZAXSZFRRYTHF-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.53
Rot. Bonds1

About tert-butyl 6-[(2-hydroxycyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[(2-hydroxycyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398110) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl 6-[(2-hydroxycyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(2-hydroxycyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398110
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nametert-butyl 6-[(2-hydroxycyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NC2CCCCC2O)C1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-9-8-16-13(10-18)17-11-6-4-5-7-12(11)19/h11-12,19H,4-10H2,1-3H3,(H,16,17)
InChIKeyASZAXSZFRRYTHF-UHFFFAOYSA-N
XLogP1.53
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(2-hydroxycyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(2-hydroxycyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398110) is tert-butyl 6-[(2-hydroxycyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(2-hydroxycyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(2-hydroxycyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NC2CCCCC2O)C1.
What is the InChIKey of tert-butyl 6-[(2-hydroxycyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is ASZAXSZFRRYTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2,3)21-14(20)18-9-8-16-13(10-18)17-11-6-4-5-7-12(11)19/h11-12,19H,4-10H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl 6-[(2-hydroxycyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(2-hydroxycyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(2-hydroxycyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).