2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(2-methylpiperidin-1-yl)pyrazine;2-tert-butyl-5-(4-methylpiperidin-1-yl)pyrazine;bis(2-tert-butyl-5-piperidin-1-ylpyrazine);2-tert-butyl-5-pyrrol-1-ylpyrazine

C89H133N23 — CID 159000289

IUPAC2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(2-methylpiperidin-1-yl)pyrazine;2-tert-butyl-5-(4-methylpiperidin-1-yl)pyrazine;bis(2-tert-butyl-5-piperidin-1-ylpyrazine);2-tert-butyl-5-pyrrol-1-ylpyrazine
SMILESCC(C)(C)c1cnc(-n2cccc2)cn1.CC(C)(C)c1cnc(-n2ccnc2)cn1.CC(C)(C)c1cnc(N2CCCCC2)cn1.CC(C)(C)c1cnc(N2CCCCC2)cn1.CC1CCCCN1c1cnc(C(C)(C)C)cn1.CC1CCN(c2cnc(C(C)(C)C)cn2)CC1.Cc1nccn1-c1cnc(C(C)(C)C)cn1
InChIInChI=1S/2C14H23N3.2C13H21N3.C12H16N4.C12H15N3.C11H14N4/c1-11-5-7-17(8-6-11)13-10-15-12(9-16-13)14(2,3)4;1-11-7-5-6-8-17(11)13-10-15-12(9-16-13)14(2,3)4;2*1-13(2,3)11-9-15-12(10-14-11)16-7-5-4-6-8-16;1-9-13-5-6-16(9)11-8-14-10(7-15-11)12(2,3)4;1-12(2,3)10-8-14-11(9-13-10)15-6-4-5-7-15;1-11(2,3)9-6-14-10(7-13-9)15-5-4-12-8-15/h2*9-11H,5-8H2,1-4H3;2*9-10H,4-8H2,1-3H3;5-8H,1-4H3;4-9H,1-3H3;4-8H,1-3H3
InChIKeyJRGKIIZEVVSFLO-UHFFFAOYSA-N
MW1525.20 g/mol
LogP18.48
Rot. Bonds7

About 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(2-methylpiperidin-1-yl)pyrazine;2-tert-butyl-5-(4-methylpiperidin-1-yl)pyrazine;bis(2-tert-butyl-5-piperidin-1-ylpyrazine);2-tert-butyl-5-pyrrol-1-ylpyrazine

2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(2-methylpiperidin-1-yl)pyrazine;2-tert-butyl-5-(4-methylpiperidin-1-yl)pyrazine;bis(2-tert-butyl-5-piperidin-1-ylpyrazine);2-tert-butyl-5-pyrrol-1-ylpyrazine (PubChem CID 159000289) has the molecular formula C89H133N23 and a molecular weight of 1525.20 g/mol. Its IUPAC name is 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(2-methylpiperidin-1-yl)pyrazine;2-tert-butyl-5-(4-methylpiperidin-1-yl)pyrazine;bis(2-tert-butyl-5-piperidin-1-ylpyrazine);2-tert-butyl-5-pyrrol-1-ylpyrazine.

Molecular Properties

Compound Name2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(2-methylpiperidin-1-yl)pyrazine;2-tert-butyl-5-(4-methylpiperidin-1-yl)pyrazine;bis(2-tert-butyl-5-piperidin-1-ylpyrazine);2-tert-butyl-5-pyrrol-1-ylpyrazine
PubChem CID159000289
Molecular FormulaC89H133N23
Molecular Weight1525.20 g/mol
Exact Mass1524.11
IUPAC Name2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(2-methylpiperidin-1-yl)pyrazine;2-tert-butyl-5-(4-methylpiperidin-1-yl)pyrazine;bis(2-tert-butyl-5-piperidin-1-ylpyrazine);2-tert-butyl-5-pyrrol-1-ylpyrazine
SMILESCC(C)(C)c1cnc(-n2cccc2)cn1.CC(C)(C)c1cnc(-n2ccnc2)cn1.CC(C)(C)c1cnc(N2CCCCC2)cn1.CC(C)(C)c1cnc(N2CCCCC2)cn1.CC1CCCCN1c1cnc(C(C)(C)C)cn1.CC1CCN(c2cnc(C(C)(C)C)cn2)CC1.Cc1nccn1-c1cnc(C(C)(C)C)cn1
InChIInChI=1S/2C14H23N3.2C13H21N3.C12H16N4.C12H15N3.C11H14N4/c1-11-5-7-17(8-6-11)13-10-15-12(9-16-13)14(2,3)4;1-11-7-5-6-8-17(11)13-10-15-12(9-16-13)14(2,3)4;2*1-13(2,3)11-9-15-12(10-14-11)16-7-5-4-6-8-16;1-9-13-5-6-16(9)11-8-14-10(7-15-11)12(2,3)4;1-12(2,3)10-8-14-11(9-13-10)15-6-4-5-7-15;1-11(2,3)9-6-14-10(7-13-9)15-5-4-12-8-15/h2*9-11H,5-8H2,1-4H3;2*9-10H,4-8H2,1-3H3;5-8H,1-4H3;4-9H,1-3H3;4-8H,1-3H3
InChIKeyJRGKIIZEVVSFLO-UHFFFAOYSA-N
XLogP18.48
TPSA233.99 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds7
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001525.20
LogP ≤ 518.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(2-methylpiperidin-1-yl)pyrazine;2-tert-butyl-5-(4-methylpiperidin-1-yl)pyrazine;bis(2-tert-butyl-5-piperidin-1-ylpyrazine);2-tert-butyl-5-pyrrol-1-ylpyrazine with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butylmorpholine;N,N-diethyl-5-methylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;5-propan-2-ylpyrazin-2-amine;4-(5-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-yl-5-pyrrolidin-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine
CID 157305576
1,4-Dimethylimidazole;1-ethyl-4-methylpiperazine;bis(1-ethylpiperidine);methane;1-methylpyrrole;1-methylpyrrolidine
CID 157465619
4-tert-butylmorpholine;N,N-diethyl-5-methylpyrazin-2-amine;N-ethyl-N,5-dimethylpyrazin-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-yl-5-pyrrolidin-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine
CID 158214465
4-Tert-butylmorpholine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-yl-5-pyrrolidin-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine
CID 158568382
(3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine;(3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine;(3S)-1-tert-butyl-3-(pyrrol-1-ylmethyl)piperidine
CID 158581546
2-Tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(2-methylpiperidin-1-yl)pyrazine;2-tert-butyl-5-(3-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-pyrazol-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine
CID 159435043
5-tert-butyl-N,N-diethylpyrazin-2-amine;5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-N,N-dimethylpyrazin-2-amine;5-tert-butyl-N-ethyl-N-methylpyrazin-2-amine;2-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine;2-tert-butyl-5-(2-methylpiperidin-1-yl)pyrazine;2-tert-butyl-5-(4-methylpiperidin-1-yl)pyrazine;1-tert-butylpiperidine;bis(2-tert-butyl-5-piperidin-1-ylpyrazine);2-tert-butyl-5-pyrrolidin-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine
CID 159499152
bis((3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);(3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-(pyrrol-1-ylmethyl)piperidine)
CID 159613034
ethane;1-methyl-2-(5-methylimidazol-1-yl)pyrazin-1-ium;1-methyl-2-(5-methylimidazol-1-yl)pyridin-1-ium;1-methyl-2-(5-methylimidazol-1-yl)pyrimidin-1-ium;1-methyl-2-(5-methylimidazol-1-yl)-1,3,5-triazin-1-ium;1-methyl-6-(4-methyl-3H-pyrrol-3-yl)pyrimidin-1-ium
CID 160469561
bis(5-tert-butyl-N,N-diethylpyrazin-2-amine);2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(4-methylpiperazin-1-yl)pyrazine;2-tert-butyl-5-(2-methylpiperidin-1-yl)pyrazine;2-tert-butyl-5-(4-methylpiperidin-1-yl)pyrazine;1-tert-butylpiperidine;bis(2-tert-butyl-5-piperidin-1-ylpyrazine);2-tert-butyl-5-pyrrolidin-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine
CID 160810073
2-Tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(3-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-(4-methylpyrazol-1-yl)pyrazine;2-tert-butyl-5-pyrazol-1-ylpyrazine;2-tert-butyl-5-pyrrol-1-ylpyrazine
CID 160812297
4-tert-butylmorpholine;N,N-diethyl-5-propan-2-ylpyrazin-2-amine;N,N-dimethyl-5-propan-2-ylpyrazin-2-amine;N-ethyl-N-methyl-5-propan-2-ylpyrazin-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-methyl-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;4-(5-propan-2-ylpyrazin-2-yl)morpholine;2-propan-2-yl-5-pyrrolidin-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine
CID 160833808

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(2-methylpiperidin-1-yl)pyrazine;2-tert-butyl-5-(4-methylpiperidin-1-yl)pyrazine;bis(2-tert-butyl-5-piperidin-1-ylpyrazine);2-tert-butyl-5-pyrrol-1-ylpyrazine?
The IUPAC name of 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(2-methylpiperidin-1-yl)pyrazine;2-tert-butyl-5-(4-methylpiperidin-1-yl)pyrazine;bis(2-tert-butyl-5-piperidin-1-ylpyrazine);2-tert-butyl-5-pyrrol-1-ylpyrazine (CID 159000289) is 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(2-methylpiperidin-1-yl)pyrazine;2-tert-butyl-5-(4-methylpiperidin-1-yl)pyrazine;bis(2-tert-butyl-5-piperidin-1-ylpyrazine);2-tert-butyl-5-pyrrol-1-ylpyrazine.
What is the SMILES notation for 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(2-methylpiperidin-1-yl)pyrazine;2-tert-butyl-5-(4-methylpiperidin-1-yl)pyrazine;bis(2-tert-butyl-5-piperidin-1-ylpyrazine);2-tert-butyl-5-pyrrol-1-ylpyrazine?
The canonical SMILES for 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(2-methylpiperidin-1-yl)pyrazine;2-tert-butyl-5-(4-methylpiperidin-1-yl)pyrazine;bis(2-tert-butyl-5-piperidin-1-ylpyrazine);2-tert-butyl-5-pyrrol-1-ylpyrazine is CC(C)(C)c1cnc(-n2cccc2)cn1.CC(C)(C)c1cnc(-n2ccnc2)cn1.CC(C)(C)c1cnc(N2CCCCC2)cn1.CC(C)(C)c1cnc(N2CCCCC2)cn1.CC1CCCCN1c1cnc(C(C)(C)C)cn1.CC1CCN(c2cnc(C(C)(C)C)cn2)CC1.Cc1nccn1-c1cnc(C(C)(C)C)cn1.
What is the InChIKey of 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(2-methylpiperidin-1-yl)pyrazine;2-tert-butyl-5-(4-methylpiperidin-1-yl)pyrazine;bis(2-tert-butyl-5-piperidin-1-ylpyrazine);2-tert-butyl-5-pyrrol-1-ylpyrazine?
The InChIKey is JRGKIIZEVVSFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H23N3.2C13H21N3.C12H16N4.C12H15N3.C11H14N4/c1-11-5-7-17(8-6-11)13-10-15-12(9-16-13)14(2,3)4;1-11-7-5-6-8-17(11)13-10-15-12(9-16-13)14(2,3)4;2*1-13(2,3)11-9-15-12(10-14-11)16-7-5-4-6-8-16;1-9-13-5-6-16(9)11-8-14-10(7-15-11)12(2,3)4;1-12(2,3)10-8-14-11(9-13-10)15-6-4-5-7-15;1-11(2,3)9-6-14-10(7-13-9)15-5-4-12-8-15/h2*9-11H,5-8H2,1-4H3;2*9-10H,4-8H2,1-3H3;5-8H,1-4H3;4-9H,1-3H3;4-8H,1-3H3.
What are the key properties of 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(2-methylpiperidin-1-yl)pyrazine;2-tert-butyl-5-(4-methylpiperidin-1-yl)pyrazine;bis(2-tert-butyl-5-piperidin-1-ylpyrazine);2-tert-butyl-5-pyrrol-1-ylpyrazine?
2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(2-methylpiperidin-1-yl)pyrazine;2-tert-butyl-5-(4-methylpiperidin-1-yl)pyrazine;bis(2-tert-butyl-5-piperidin-1-ylpyrazine);2-tert-butyl-5-pyrrol-1-ylpyrazine has a molecular weight of 1525.20 g/mol, XLogP of 18.48, 7 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-imidazol-1-ylpyrazine;2-tert-butyl-5-(2-methylimidazol-1-yl)pyrazine;2-tert-butyl-5-(2-methylpiperidin-1-yl)pyrazine;2-tert-butyl-5-(4-methylpiperidin-1-yl)pyrazine;bis(2-tert-butyl-5-piperidin-1-ylpyrazine);2-tert-butyl-5-pyrrol-1-ylpyrazine is sourced from PubChem (CID 159000289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).