(2R)-3-tert-butyl-2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine

C17H24N4 — CID 155073907

IUPAC(2R)-3-tert-butyl-2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine
SMILESCC1CC=CC=C1N1c2nccnc2N(C(C)(C)C)[C@H]1C
InChIInChI=1S/C17H24N4/c1-12-8-6-7-9-14(12)20-13(2)21(17(3,4)5)16-15(20)18-10-11-19-16/h6-7,9-13H,8H2,1-5H3/t12?,13-/m0/s1
InChIKeyUHDHEUKOWYRVLU-ABLWVSNPSA-N
MW284.41 g/mol
LogP3.73
Rot. Bonds1

About (2R)-3-tert-butyl-2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine

(2R)-3-tert-butyl-2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine (PubChem CID 155073907) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is (2R)-3-tert-butyl-2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name(2R)-3-tert-butyl-2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine
PubChem CID155073907
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name(2R)-3-tert-butyl-2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine
SMILESCC1CC=CC=C1N1c2nccnc2N(C(C)(C)C)[C@H]1C
InChIInChI=1S/C17H24N4/c1-12-8-6-7-9-14(12)20-13(2)21(17(3,4)5)16-15(20)18-10-11-19-16/h6-7,9-13H,8H2,1-5H3/t12?,13-/m0/s1
InChIKeyUHDHEUKOWYRVLU-ABLWVSNPSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-tert-butyl-2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine?
The IUPAC name of (2R)-3-tert-butyl-2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine (CID 155073907) is (2R)-3-tert-butyl-2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine.
What is the SMILES notation for (2R)-3-tert-butyl-2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine?
The canonical SMILES for (2R)-3-tert-butyl-2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine is CC1CC=CC=C1N1c2nccnc2N(C(C)(C)C)[C@H]1C.
What is the InChIKey of (2R)-3-tert-butyl-2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine?
The InChIKey is UHDHEUKOWYRVLU-ABLWVSNPSA-N. The full InChI is InChI=1S/C17H24N4/c1-12-8-6-7-9-14(12)20-13(2)21(17(3,4)5)16-15(20)18-10-11-19-16/h6-7,9-13H,8H2,1-5H3/t12?,13-/m0/s1.
What are the key properties of (2R)-3-tert-butyl-2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine?
(2R)-3-tert-butyl-2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine has a molecular weight of 284.41 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-tert-butyl-2-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)-2H-imidazo[4,5-b]pyrazine is sourced from PubChem (CID 155073907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).