2-tert-butyl-3-(cyclopropylmethyl)pyrazine;2-tert-butyl-3-ethylpyrazine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-2-methylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3-methylpyrazine);4-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-4-piperidin-1-ylpyrimidine;5-tert-butyl-N-prop-1-en-2-yl-1,3-thiazol-2-amine;1-(3-tert-butylpyrazin-2-yl)ethanone;3-tert-butylpyridine;3-tert-butyl-1H-pyrrole

C166H253N31OS2 — CID 158538660

IUPAC2-tert-butyl-3-(cyclopropylmethyl)pyrazine;2-tert-butyl-3-ethylpyrazine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-2-methylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3-methylpyrazine);4-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-4-piperidin-1-ylpyrimidine;5-tert-butyl-N-prop-1-en-2-yl-1,3-thiazol-2-amine;1-(3-tert-butylpyrazin-2-yl)ethanone;3-tert-butylpyridine;3-tert-butyl-1H-pyrrole
SMILESC=C(C)Nc1ncc(C(C)(C)C)s1.CC(=O)c1nccnc1C(C)(C)C.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc2cccnn12.CC(C)(C)c1cncnc1N1CCCCC1.CC(C)(C)c1nccnc1CC1CC1.CCc1nccnc1C(C)(C)C.Cc1[nH]ncc1C(C)(C)C.Cc1cccc(C(C)(C)C)n1.Cc1cccnc1C(C)(C)C.Cc1nc2cccnn2c1C(C)(C)C.Cc1ncc(C(C)(C)C)s1.Cc1ncccc1C(C)(C)C.Cc1nccnc1C(C)(C)C.Cc1nccnc1C(C)(C)C.Cc1ncncc1C(C)(C)C
InChIInChI=1S/C13H21N3.C12H18N2.C11H15N3.C10H13N3.C10H14N2O.C10H16N2S.C10H16N2.3C10H15N.3C9H14N2.C9H13N.C8H14N2.C8H13NS.C8H13N/c1-13(2,3)11-9-14-10-15-12(11)16-7-5-4-6-8-16;1-12(2,3)11-10(8-9-4-5-9)13-6-7-14-11;1-8-10(11(2,3)4)14-9(13-8)6-5-7-12-14;1-10(2,3)8-7-11-9-5-4-6-12-13(8)9;1-7(13)8-9(10(2,3)4)12-6-5-11-8;1-7(2)12-9-11-6-8(13-9)10(3,4)5;1-5-8-9(10(2,3)4)12-7-6-11-8;1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-11-9(8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-7-8(9(2,3)4)5-10-6-11-7;2*1-7-8(9(2,3)4)11-6-5-10-7;1-9(2,3)8-5-4-6-10-7-8;1-6-7(5-9-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-8(2,3)7-4-5-9-6-7/h9-10H,4-8H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;6H,1H2,2-5H3,(H,11,12);6-7H,5H2,1-4H3;3*5-7H,1-4H3;3*5-6H,1-4H3;4-7H,1-3H3;5H,1-4H3,(H,9,10);5H,1-4H3;4-6,9H,1-3H3
InChIKeyHOGFDCCYTFYWAD-UHFFFAOYSA-N
MW2763.20 g/mol
LogP41.32
Rot. Bonds7

About 2-tert-butyl-3-(cyclopropylmethyl)pyrazine;2-tert-butyl-3-ethylpyrazine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-2-methylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3-methylpyrazine);4-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-4-piperidin-1-ylpyrimidine;5-tert-butyl-N-prop-1-en-2-yl-1,3-thiazol-2-amine;1-(3-tert-butylpyrazin-2-yl)ethanone;3-tert-butylpyridine;3-tert-butyl-1H-pyrrole

2-tert-butyl-3-(cyclopropylmethyl)pyrazine;2-tert-butyl-3-ethylpyrazine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-2-methylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3-methylpyrazine);4-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-4-piperidin-1-ylpyrimidine;5-tert-butyl-N-prop-1-en-2-yl-1,3-thiazol-2-amine;1-(3-tert-butylpyrazin-2-yl)ethanone;3-tert-butylpyridine;3-tert-butyl-1H-pyrrole (PubChem CID 158538660) has the molecular formula C166H253N31OS2 and a molecular weight of 2763.20 g/mol. Its IUPAC name is 2-tert-butyl-3-(cyclopropylmethyl)pyrazine;2-tert-butyl-3-ethylpyrazine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-2-methylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3-methylpyrazine);4-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-4-piperidin-1-ylpyrimidine;5-tert-butyl-N-prop-1-en-2-yl-1,3-thiazol-2-amine;1-(3-tert-butylpyrazin-2-yl)ethanone;3-tert-butylpyridine;3-tert-butyl-1H-pyrrole.

Molecular Properties

Compound Name2-tert-butyl-3-(cyclopropylmethyl)pyrazine;2-tert-butyl-3-ethylpyrazine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-2-methylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3-methylpyrazine);4-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-4-piperidin-1-ylpyrimidine;5-tert-butyl-N-prop-1-en-2-yl-1,3-thiazol-2-amine;1-(3-tert-butylpyrazin-2-yl)ethanone;3-tert-butylpyridine;3-tert-butyl-1H-pyrrole
PubChem CID158538660
Molecular FormulaC166H253N31OS2
Molecular Weight2763.20 g/mol
Exact Mass2761.01
IUPAC Name2-tert-butyl-3-(cyclopropylmethyl)pyrazine;2-tert-butyl-3-ethylpyrazine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-2-methylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3-methylpyrazine);4-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-4-piperidin-1-ylpyrimidine;5-tert-butyl-N-prop-1-en-2-yl-1,3-thiazol-2-amine;1-(3-tert-butylpyrazin-2-yl)ethanone;3-tert-butylpyridine;3-tert-butyl-1H-pyrrole
SMILESC=C(C)Nc1ncc(C(C)(C)C)s1.CC(=O)c1nccnc1C(C)(C)C.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc2cccnn12.CC(C)(C)c1cncnc1N1CCCCC1.CC(C)(C)c1nccnc1CC1CC1.CCc1nccnc1C(C)(C)C.Cc1[nH]ncc1C(C)(C)C.Cc1cccc(C(C)(C)C)n1.Cc1cccnc1C(C)(C)C.Cc1nc2cccnn2c1C(C)(C)C.Cc1ncc(C(C)(C)C)s1.Cc1ncccc1C(C)(C)C.Cc1nccnc1C(C)(C)C.Cc1nccnc1C(C)(C)C.Cc1ncncc1C(C)(C)C
InChIInChI=1S/C13H21N3.C12H18N2.C11H15N3.C10H13N3.C10H14N2O.C10H16N2S.C10H16N2.3C10H15N.3C9H14N2.C9H13N.C8H14N2.C8H13NS.C8H13N/c1-13(2,3)11-9-14-10-15-12(11)16-7-5-4-6-8-16;1-12(2,3)11-10(8-9-4-5-9)13-6-7-14-11;1-8-10(11(2,3)4)14-9(13-8)6-5-7-12-14;1-10(2,3)8-7-11-9-5-4-6-12-13(8)9;1-7(13)8-9(10(2,3)4)12-6-5-11-8;1-7(2)12-9-11-6-8(13-9)10(3,4)5;1-5-8-9(10(2,3)4)12-7-6-11-8;1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-11-9(8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-7-8(9(2,3)4)5-10-6-11-7;2*1-7-8(9(2,3)4)11-6-5-10-7;1-9(2,3)8-5-4-6-10-7-8;1-6-7(5-9-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-8(2,3)7-4-5-9-6-7/h9-10H,4-8H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;6H,1H2,2-5H3,(H,11,12);6-7H,5H2,1-4H3;3*5-7H,1-4H3;3*5-6H,1-4H3;4-7H,1-3H3;5H,1-4H3,(H,9,10);5H,1-4H3;4-6,9H,1-3H3
InChIKeyHOGFDCCYTFYWAD-UHFFFAOYSA-N
XLogP41.32
TPSA394.99 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds7
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002763.20
LogP ≤ 541.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Analyze 2-tert-butyl-3-(cyclopropylmethyl)pyrazine;2-tert-butyl-3-ethylpyrazine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-2-methylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3-methylpyrazine);4-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-4-piperidin-1-ylpyrimidine;5-tert-butyl-N-prop-1-en-2-yl-1,3-thiazol-2-amine;1-(3-tert-butylpyrazin-2-yl)ethanone;3-tert-butylpyridine;3-tert-butyl-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10934304, Example 80
CID 134415899
N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 158211058
[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(5-fluoro-1H-indazol-3-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(2-phenyl-1H-imidazol-5-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(1,3-thiazol-2-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 162287462
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-1H-indazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-phenyl-1H-imidazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanimine
CID 162287467
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-fluoro-1H-indazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-phenyl-1H-imidazol-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 162287555
1-[7-amino-3-[6-(1,3-thiazol-2-yl)-3-pyridinyl]-5-[(1R,5S)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 67294615
1-[7-amino-3-[6-(1,3-thiazol-2-yl)-3-pyridinyl]-5-[8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 71128132
4-(aminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1-(7H-purin-6-yl)piperidine-4-carboxamide;[4-[3-(1H-pyrazol-4-yl)phenyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
CID 87535034
1-[7-amino-3-[6-(1,3-thiazol-2-yl)-3-pyridinyl]-5-[(5R)-8-(1H-1,2,4-triazole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 118629359
N-[5-[7-[5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]benzamide
CID 137104373
3-methyl-N-[5-[7-[5-methyl-2-[2-[5-(3-methyl-6-methylideneocta-2,4-dien-4-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]butanamide
CID 137141276
(5S)-2-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 141761489

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(cyclopropylmethyl)pyrazine;2-tert-butyl-3-ethylpyrazine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-2-methylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3-methylpyrazine);4-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-4-piperidin-1-ylpyrimidine;5-tert-butyl-N-prop-1-en-2-yl-1,3-thiazol-2-amine;1-(3-tert-butylpyrazin-2-yl)ethanone;3-tert-butylpyridine;3-tert-butyl-1H-pyrrole?
The IUPAC name of 2-tert-butyl-3-(cyclopropylmethyl)pyrazine;2-tert-butyl-3-ethylpyrazine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-2-methylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3-methylpyrazine);4-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-4-piperidin-1-ylpyrimidine;5-tert-butyl-N-prop-1-en-2-yl-1,3-thiazol-2-amine;1-(3-tert-butylpyrazin-2-yl)ethanone;3-tert-butylpyridine;3-tert-butyl-1H-pyrrole (CID 158538660) is 2-tert-butyl-3-(cyclopropylmethyl)pyrazine;2-tert-butyl-3-ethylpyrazine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-2-methylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3-methylpyrazine);4-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-4-piperidin-1-ylpyrimidine;5-tert-butyl-N-prop-1-en-2-yl-1,3-thiazol-2-amine;1-(3-tert-butylpyrazin-2-yl)ethanone;3-tert-butylpyridine;3-tert-butyl-1H-pyrrole.
What is the SMILES notation for 2-tert-butyl-3-(cyclopropylmethyl)pyrazine;2-tert-butyl-3-ethylpyrazine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-2-methylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3-methylpyrazine);4-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-4-piperidin-1-ylpyrimidine;5-tert-butyl-N-prop-1-en-2-yl-1,3-thiazol-2-amine;1-(3-tert-butylpyrazin-2-yl)ethanone;3-tert-butylpyridine;3-tert-butyl-1H-pyrrole?
The canonical SMILES for 2-tert-butyl-3-(cyclopropylmethyl)pyrazine;2-tert-butyl-3-ethylpyrazine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-2-methylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3-methylpyrazine);4-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-4-piperidin-1-ylpyrimidine;5-tert-butyl-N-prop-1-en-2-yl-1,3-thiazol-2-amine;1-(3-tert-butylpyrazin-2-yl)ethanone;3-tert-butylpyridine;3-tert-butyl-1H-pyrrole is C=C(C)Nc1ncc(C(C)(C)C)s1.CC(=O)c1nccnc1C(C)(C)C.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1cccnc1.CC(C)(C)c1cnc2cccnn12.CC(C)(C)c1cncnc1N1CCCCC1.CC(C)(C)c1nccnc1CC1CC1.CCc1nccnc1C(C)(C)C.Cc1[nH]ncc1C(C)(C)C.Cc1cccc(C(C)(C)C)n1.Cc1cccnc1C(C)(C)C.Cc1nc2cccnn2c1C(C)(C)C.Cc1ncc(C(C)(C)C)s1.Cc1ncccc1C(C)(C)C.Cc1nccnc1C(C)(C)C.Cc1nccnc1C(C)(C)C.Cc1ncncc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-(cyclopropylmethyl)pyrazine;2-tert-butyl-3-ethylpyrazine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-2-methylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3-methylpyrazine);4-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-4-piperidin-1-ylpyrimidine;5-tert-butyl-N-prop-1-en-2-yl-1,3-thiazol-2-amine;1-(3-tert-butylpyrazin-2-yl)ethanone;3-tert-butylpyridine;3-tert-butyl-1H-pyrrole?
The InChIKey is HOGFDCCYTFYWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.C12H18N2.C11H15N3.C10H13N3.C10H14N2O.C10H16N2S.C10H16N2.3C10H15N.3C9H14N2.C9H13N.C8H14N2.C8H13NS.C8H13N/c1-13(2,3)11-9-14-10-15-12(11)16-7-5-4-6-8-16;1-12(2,3)11-10(8-9-4-5-9)13-6-7-14-11;1-8-10(11(2,3)4)14-9(13-8)6-5-7-12-14;1-10(2,3)8-7-11-9-5-4-6-12-13(8)9;1-7(13)8-9(10(2,3)4)12-6-5-11-8;1-7(2)12-9-11-6-8(13-9)10(3,4)5;1-5-8-9(10(2,3)4)12-7-6-11-8;1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-11-9(8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-7-8(9(2,3)4)5-10-6-11-7;2*1-7-8(9(2,3)4)11-6-5-10-7;1-9(2,3)8-5-4-6-10-7-8;1-6-7(5-9-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-8(2,3)7-4-5-9-6-7/h9-10H,4-8H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;5-7H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;6H,1H2,2-5H3,(H,11,12);6-7H,5H2,1-4H3;3*5-7H,1-4H3;3*5-6H,1-4H3;4-7H,1-3H3;5H,1-4H3,(H,9,10);5H,1-4H3;4-6,9H,1-3H3.
What are the key properties of 2-tert-butyl-3-(cyclopropylmethyl)pyrazine;2-tert-butyl-3-ethylpyrazine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-2-methylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3-methylpyrazine);4-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-4-piperidin-1-ylpyrimidine;5-tert-butyl-N-prop-1-en-2-yl-1,3-thiazol-2-amine;1-(3-tert-butylpyrazin-2-yl)ethanone;3-tert-butylpyridine;3-tert-butyl-1H-pyrrole?
2-tert-butyl-3-(cyclopropylmethyl)pyrazine;2-tert-butyl-3-ethylpyrazine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-2-methylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3-methylpyrazine);4-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-4-piperidin-1-ylpyrimidine;5-tert-butyl-N-prop-1-en-2-yl-1,3-thiazol-2-amine;1-(3-tert-butylpyrazin-2-yl)ethanone;3-tert-butylpyridine;3-tert-butyl-1H-pyrrole has a molecular weight of 2763.20 g/mol, XLogP of 41.32, 7 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(cyclopropylmethyl)pyrazine;2-tert-butyl-3-ethylpyrazine;3-tert-butylimidazo[1,2-b]pyridazine;3-tert-butyl-2-methylimidazo[1,2-b]pyridazine;bis(2-tert-butyl-3-methylpyrazine);4-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-4-piperidin-1-ylpyrimidine;5-tert-butyl-N-prop-1-en-2-yl-1,3-thiazol-2-amine;1-(3-tert-butylpyrazin-2-yl)ethanone;3-tert-butylpyridine;3-tert-butyl-1H-pyrrole is sourced from PubChem (CID 158538660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).