2-tert-butyl-5-fluoropyrimidine;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;1H-imidazole;pentakis(2-methylpropane);1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole

C155H258FN45O — CID 161276411

IUPAC2-tert-butyl-5-fluoropyrimidine;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;1H-imidazole;pentakis(2-methylpropane);1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncc(F)cn1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1ncncn1.CC(C)(C)n1cccn1.CC(C)(C)n1cncn1.CC(C)(C)n1nccn1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cn1ncc(C(C)(C)C)n1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]n1.c1nc[nH]n1.c1nn[nH]n1
InChIInChI=1S/3C9H13N.C8H11FN2.6C8H12N2.C7H11N3.C7H13N3.C7H12N2.C7H11NO.2C6H11N3.C4H5N.5C4H10.C3H4N2.2C2H3N3.CH2N4/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-10-4-6(9)5-11-7;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-7(2,3)6-9-4-8-5-10-6;1-7(2,3)6-5-8-10(4)9-6;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-7-4-8-9;1-6(2,3)9-7-4-5-8-9;1-2-4-5-3-1;5*1-4(2)3;1-2-5-3-4-1;1-3-2-5-4-1;2*1-2-4-5-3-1/h3*4-7H,1-3H3;4-5H,1-3H3;6*4-6H,1-3H3;4-5H,1-3H3;5H,1-4H3;4-6H,1-3H3;3*4-5H,1-3H3;1-5H;5*4H,1-3H3;1-3H,(H,4,5);2*1-2H,(H,3,4,5);1H,(H,2,3,4,5)
InChIKeyVEMNTLCVNWXVOO-UHFFFAOYSA-N
MW2787.08 g/mol
LogP36.20
Rot. Bonds

About 2-tert-butyl-5-fluoropyrimidine;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;1H-imidazole;pentakis(2-methylpropane);1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole

2-tert-butyl-5-fluoropyrimidine;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;1H-imidazole;pentakis(2-methylpropane);1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole (PubChem CID 161276411) has the molecular formula C155H258FN45O and a molecular weight of 2787.08 g/mol. Its IUPAC name is 2-tert-butyl-5-fluoropyrimidine;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;1H-imidazole;pentakis(2-methylpropane);1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole.

Molecular Properties

Compound Name2-tert-butyl-5-fluoropyrimidine;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;1H-imidazole;pentakis(2-methylpropane);1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole
PubChem CID161276411
Molecular FormulaC155H258FN45O
Molecular Weight2787.08 g/mol
Exact Mass2785.15
IUPAC Name2-tert-butyl-5-fluoropyrimidine;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;1H-imidazole;pentakis(2-methylpropane);1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncc(F)cn1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1ncncn1.CC(C)(C)n1cccn1.CC(C)(C)n1cncn1.CC(C)(C)n1nccn1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cn1ncc(C(C)(C)C)n1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]n1.c1nc[nH]n1.c1nn[nH]n1
InChIInChI=1S/3C9H13N.C8H11FN2.6C8H12N2.C7H11N3.C7H13N3.C7H12N2.C7H11NO.2C6H11N3.C4H5N.5C4H10.C3H4N2.2C2H3N3.CH2N4/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-10-4-6(9)5-11-7;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-7(2,3)6-9-4-8-5-10-6;1-7(2,3)6-5-8-10(4)9-6;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-7-4-8-9;1-6(2,3)9-7-4-5-8-9;1-2-4-5-3-1;5*1-4(2)3;1-2-5-3-4-1;1-3-2-5-4-1;2*1-2-4-5-3-1/h3*4-7H,1-3H3;4-5H,1-3H3;6*4-6H,1-3H3;4-5H,1-3H3;5H,1-4H3;4-6H,1-3H3;3*4-5H,1-3H3;1-5H;5*4H,1-3H3;1-3H,(H,4,5);2*1-2H,(H,3,4,5);1H,(H,2,3,4,5)
InChIKeyVEMNTLCVNWXVOO-UHFFFAOYSA-N
XLogP36.20
TPSA575.85 Ų
H-Bond Donors5
H-Bond Acceptors41
Rotatable Bonds
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002787.08
LogP ≤ 536.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1041

Analyze 2-tert-butyl-5-fluoropyrimidine;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;1H-imidazole;pentakis(2-methylpropane);1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole with MolForge

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Launch Full Analysis

Related Compounds

cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
1-Tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole
CID 157106362
2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole)
CID 157205327
5-tert-butylpyrimidine;1-fluoro-3-propan-2-ylbenzene;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrolidine;4-propan-2-yl-1H-1,2,4-triazol-4-ium
CID 157323304
bis(2-tert-butyl-5H-cyclopenta[d]pyrimidine);2-tert-butyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-6-methylidene-5,7-dihydropyrrolo[2,3-d]pyrimidine;5-tert-butyl-[1,3]oxazolo[4,5-d]pyrimidine;2-tert-butyl-7H-purine;6-tert-butyl-1H-pyrazolo[3,4-d]pyrimidine;2-tert-butyl-5H-pyrrolo[2,3-d]pyrimidine;2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidine;methane
CID 157449367
2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-6-propan-2-ylpyrazine;N-methyl-6-propan-2-ylpyrazine-2-carboxamide;2-(1-methylpyrazol-4-yl)-6-propan-2-ylpyrazine;2-(2-methylpyrazol-3-yl)-6-propan-2-ylpyrazine;2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrazine;4-[2-[4-(6-propan-2-ylpyrazin-2-yl)pyrazol-1-yl]ethyl]morpholine;5-(6-propan-2-ylpyrazin-2-yl)pyridin-2-amine;2-propan-2-yl-6-(1H-pyrazol-4-yl)pyrazine;2-propan-2-yl-6-pyridin-3-ylpyrazine;2-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrazine
CID 157525512
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole
CID 157740950
1-tert-butyl-2-cyclopropylimidazole;2-tert-butyl-1,5-dimethylimidazole;2-tert-butyl-N,N-dimethylpyrimidin-5-amine;1-tert-butyl-2-ethylimidazole;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyridine;bis(1-tert-butylimidazole);1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;bis(2-tert-butyl-6-methylpyridine);5-tert-butyl-2-methylpyridine;2-tert-butyl-4-methylpyrimidine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butyl-1,2,4-triazole;methane
CID 157827251
bis(1,4-dimethyl-2-propan-2-ylimidazole);bis(1,5-dimethyl-2-propan-2-ylimidazole);1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylpyrrole;bis(1,3-dimethyl-2-propan-2-ylpyrrole);bis(1,3-dimethyl-4-propan-2-ylpyrrole);bis(1-methyl-2-propan-2-ylimidazole);tetrakis(5-methyl-2-propan-2-yl-1H-imidazole);5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1H-imidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,3,5-trimethyl-2-propan-2-ylpyrrole
CID 158079348
3-Tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;ethane
CID 158189317
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2,4-triazine;5-propan-2-yl-1H-1,2,4-triazole
CID 158250766
2-Tert-butyl-5-fluoropyrimidine;1-tert-butylimidazole;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;1-methylpyrazole
CID 158251384

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-fluoropyrimidine;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;1H-imidazole;pentakis(2-methylpropane);1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole?
The IUPAC name of 2-tert-butyl-5-fluoropyrimidine;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;1H-imidazole;pentakis(2-methylpropane);1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole (CID 161276411) is 2-tert-butyl-5-fluoropyrimidine;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;1H-imidazole;pentakis(2-methylpropane);1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole.
What is the SMILES notation for 2-tert-butyl-5-fluoropyrimidine;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;1H-imidazole;pentakis(2-methylpropane);1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole?
The canonical SMILES for 2-tert-butyl-5-fluoropyrimidine;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;1H-imidazole;pentakis(2-methylpropane);1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole is CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccnnc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncnc1.CC(C)(C)c1ncc(F)cn1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1ncncn1.CC(C)(C)n1cccn1.CC(C)(C)n1cncn1.CC(C)(C)n1nccn1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.Cn1ncc(C(C)(C)C)n1.c1c[nH]cn1.c1cc[nH]c1.c1cn[nH]n1.c1nc[nH]n1.c1nn[nH]n1.
What is the InChIKey of 2-tert-butyl-5-fluoropyrimidine;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;1H-imidazole;pentakis(2-methylpropane);1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole?
The InChIKey is VEMNTLCVNWXVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H13N.C8H11FN2.6C8H12N2.C7H11N3.C7H13N3.C7H12N2.C7H11NO.2C6H11N3.C4H5N.5C4H10.C3H4N2.2C2H3N3.CH2N4/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-10-4-6(9)5-11-7;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-4-5-9-10-6-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-7(2,3)6-9-4-8-5-10-6;1-7(2,3)6-5-8-10(4)9-6;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-7-4-8-9;1-6(2,3)9-7-4-5-8-9;1-2-4-5-3-1;5*1-4(2)3;1-2-5-3-4-1;1-3-2-5-4-1;2*1-2-4-5-3-1/h3*4-7H,1-3H3;4-5H,1-3H3;6*4-6H,1-3H3;4-5H,1-3H3;5H,1-4H3;4-6H,1-3H3;3*4-5H,1-3H3;1-5H;5*4H,1-3H3;1-3H,(H,4,5);2*1-2H,(H,3,4,5);1H,(H,2,3,4,5).
What are the key properties of 2-tert-butyl-5-fluoropyrimidine;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;1H-imidazole;pentakis(2-methylpropane);1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole?
2-tert-butyl-5-fluoropyrimidine;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;1H-imidazole;pentakis(2-methylpropane);1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole has a molecular weight of 2787.08 g/mol, XLogP of 36.20, 0 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-fluoropyrimidine;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1,3,5-triazine;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;1H-imidazole;pentakis(2-methylpropane);1H-pyrrole;2H-tetrazole;1H-1,2,4-triazole;2H-triazole is sourced from PubChem (CID 161276411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).