3-tert-butylazetidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-4-methyl-1,2,4-triazol-3-amine;5-tert-butyl-1,3,4-oxadiazol-2-amine;5-tert-butyl-1,2-oxazol-3-amine;5-tert-butyl-1H-pyrazol-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3,4-thiadiazol-2-amine;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butyl-1,2,4-triazol-4-amine;5-tert-butyl-1H-1,2,4-triazol-3-amine;4-tert-butyl-2H-triazole

C106H182FN33O2S4 — CID 157288270

IUPAC3-tert-butylazetidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-4-methyl-1,2,4-triazol-3-amine;5-tert-butyl-1,3,4-oxadiazol-2-amine;5-tert-butyl-1,2-oxazol-3-amine;5-tert-butyl-1H-pyrazol-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3,4-thiadiazol-2-amine;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butyl-1,2,4-triazol-4-amine;5-tert-butyl-1H-1,2,4-triazol-3-amine;4-tert-butyl-2H-triazole
SMILESCC(C)(C)C1CNC1.CC(C)(C)c1cc(N)n[nH]1.CC(C)(C)c1cc(N)no1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cncc(F)c1.CC(C)(C)c1cncnc1.CC(C)(C)c1cncs1.CC(C)(C)c1cncs1.CC(C)(C)c1nc(N)n[nH]1.CC(C)(C)c1nnc(N)o1.CC(C)(C)c1nnc(N)s1.CC(C)(C)c1nncn1N.Cn1c(N)nnc1C(C)(C)C
InChIInChI=1S/C9H12FN.C9H13N.C8H12N2.C8H12S.C7H14N4.C7H13N3.C7H12N2O.2C7H11NS.C7H15N.2C6H12N4.C6H11N3O.C6H11N3S.C6H11N3/c1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)5-9-10-6(8)11(5)4;1-7(2,3)5-4-6(8)10-9-5;1-7(2,3)5-4-6(8)9-10-5;2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-5-6;1-6(2,3)5-9-8-4-10(5)7;1-6(2,3)4-8-5(7)10-9-4;2*1-6(2,3)4-8-9-5(7)10-4;1-6(2,3)5-4-7-9-8-5/h4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;1-4H3,(H2,8,10);4H,1-3H3,(H3,8,9,10);4H,1-3H3,(H2,8,9);2*4-5H,1-3H3;6,8H,4-5H2,1-3H3;4H,7H2,1-3H3;1-3H3,(H3,7,8,9,10);2*1-3H3,(H2,7,9);4H,1-3H3,(H,7,8,9)
InChIKeyBAMOBRMOJWUAQM-UHFFFAOYSA-N
MW2098.12 g/mol
LogP23.83
Rot. Bonds

About 3-tert-butylazetidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-4-methyl-1,2,4-triazol-3-amine;5-tert-butyl-1,3,4-oxadiazol-2-amine;5-tert-butyl-1,2-oxazol-3-amine;5-tert-butyl-1H-pyrazol-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3,4-thiadiazol-2-amine;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butyl-1,2,4-triazol-4-amine;5-tert-butyl-1H-1,2,4-triazol-3-amine;4-tert-butyl-2H-triazole

3-tert-butylazetidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-4-methyl-1,2,4-triazol-3-amine;5-tert-butyl-1,3,4-oxadiazol-2-amine;5-tert-butyl-1,2-oxazol-3-amine;5-tert-butyl-1H-pyrazol-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3,4-thiadiazol-2-amine;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butyl-1,2,4-triazol-4-amine;5-tert-butyl-1H-1,2,4-triazol-3-amine;4-tert-butyl-2H-triazole (PubChem CID 157288270) has the molecular formula C106H182FN33O2S4 and a molecular weight of 2098.12 g/mol. Its IUPAC name is 3-tert-butylazetidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-4-methyl-1,2,4-triazol-3-amine;5-tert-butyl-1,3,4-oxadiazol-2-amine;5-tert-butyl-1,2-oxazol-3-amine;5-tert-butyl-1H-pyrazol-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3,4-thiadiazol-2-amine;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butyl-1,2,4-triazol-4-amine;5-tert-butyl-1H-1,2,4-triazol-3-amine;4-tert-butyl-2H-triazole.

Molecular Properties

Compound Name3-tert-butylazetidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-4-methyl-1,2,4-triazol-3-amine;5-tert-butyl-1,3,4-oxadiazol-2-amine;5-tert-butyl-1,2-oxazol-3-amine;5-tert-butyl-1H-pyrazol-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3,4-thiadiazol-2-amine;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butyl-1,2,4-triazol-4-amine;5-tert-butyl-1H-1,2,4-triazol-3-amine;4-tert-butyl-2H-triazole
PubChem CID157288270
Molecular FormulaC106H182FN33O2S4
Molecular Weight2098.12 g/mol
Exact Mass2096.40
IUPAC Name3-tert-butylazetidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-4-methyl-1,2,4-triazol-3-amine;5-tert-butyl-1,3,4-oxadiazol-2-amine;5-tert-butyl-1,2-oxazol-3-amine;5-tert-butyl-1H-pyrazol-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3,4-thiadiazol-2-amine;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butyl-1,2,4-triazol-4-amine;5-tert-butyl-1H-1,2,4-triazol-3-amine;4-tert-butyl-2H-triazole
SMILESCC(C)(C)C1CNC1.CC(C)(C)c1cc(N)n[nH]1.CC(C)(C)c1cc(N)no1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cncc(F)c1.CC(C)(C)c1cncnc1.CC(C)(C)c1cncs1.CC(C)(C)c1cncs1.CC(C)(C)c1nc(N)n[nH]1.CC(C)(C)c1nnc(N)o1.CC(C)(C)c1nnc(N)s1.CC(C)(C)c1nncn1N.Cn1c(N)nnc1C(C)(C)C
InChIInChI=1S/C9H12FN.C9H13N.C8H12N2.C8H12S.C7H14N4.C7H13N3.C7H12N2O.2C7H11NS.C7H15N.2C6H12N4.C6H11N3O.C6H11N3S.C6H11N3/c1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)5-9-10-6(8)11(5)4;1-7(2,3)5-4-6(8)10-9-5;1-7(2,3)5-4-6(8)9-10-5;2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-5-6;1-6(2,3)5-9-8-4-10(5)7;1-6(2,3)4-8-5(7)10-9-4;2*1-6(2,3)4-8-9-5(7)10-4;1-6(2,3)5-4-7-9-8-5/h4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;1-4H3,(H2,8,10);4H,1-3H3,(H3,8,9,10);4H,1-3H3,(H2,8,9);2*4-5H,1-3H3;6,8H,4-5H2,1-3H3;4H,7H2,1-3H3;1-3H3,(H3,7,8,9,10);2*1-3H3,(H2,7,9);4H,1-3H3,(H,7,8,9)
InChIKeyBAMOBRMOJWUAQM-UHFFFAOYSA-N
XLogP23.83
TPSA535.48 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002098.12
LogP ≤ 523.83
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze 3-tert-butylazetidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-4-methyl-1,2,4-triazol-3-amine;5-tert-butyl-1,3,4-oxadiazol-2-amine;5-tert-butyl-1,2-oxazol-3-amine;5-tert-butyl-1H-pyrazol-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3,4-thiadiazol-2-amine;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butyl-1,2,4-triazol-4-amine;5-tert-butyl-1H-1,2,4-triazol-3-amine;4-tert-butyl-2H-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylazetidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-4-methyl-1,2,4-triazol-3-amine;5-tert-butyl-1,3,4-oxadiazol-2-amine;5-tert-butyl-1,2-oxazol-3-amine;5-tert-butyl-1H-pyrazol-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3,4-thiadiazol-2-amine;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butyl-1,2,4-triazol-4-amine;5-tert-butyl-1H-1,2,4-triazol-3-amine;4-tert-butyl-2H-triazole?
The IUPAC name of 3-tert-butylazetidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-4-methyl-1,2,4-triazol-3-amine;5-tert-butyl-1,3,4-oxadiazol-2-amine;5-tert-butyl-1,2-oxazol-3-amine;5-tert-butyl-1H-pyrazol-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3,4-thiadiazol-2-amine;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butyl-1,2,4-triazol-4-amine;5-tert-butyl-1H-1,2,4-triazol-3-amine;4-tert-butyl-2H-triazole (CID 157288270) is 3-tert-butylazetidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-4-methyl-1,2,4-triazol-3-amine;5-tert-butyl-1,3,4-oxadiazol-2-amine;5-tert-butyl-1,2-oxazol-3-amine;5-tert-butyl-1H-pyrazol-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3,4-thiadiazol-2-amine;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butyl-1,2,4-triazol-4-amine;5-tert-butyl-1H-1,2,4-triazol-3-amine;4-tert-butyl-2H-triazole.
What is the SMILES notation for 3-tert-butylazetidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-4-methyl-1,2,4-triazol-3-amine;5-tert-butyl-1,3,4-oxadiazol-2-amine;5-tert-butyl-1,2-oxazol-3-amine;5-tert-butyl-1H-pyrazol-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3,4-thiadiazol-2-amine;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butyl-1,2,4-triazol-4-amine;5-tert-butyl-1H-1,2,4-triazol-3-amine;4-tert-butyl-2H-triazole?
The canonical SMILES for 3-tert-butylazetidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-4-methyl-1,2,4-triazol-3-amine;5-tert-butyl-1,3,4-oxadiazol-2-amine;5-tert-butyl-1,2-oxazol-3-amine;5-tert-butyl-1H-pyrazol-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3,4-thiadiazol-2-amine;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butyl-1,2,4-triazol-4-amine;5-tert-butyl-1H-1,2,4-triazol-3-amine;4-tert-butyl-2H-triazole is CC(C)(C)C1CNC1.CC(C)(C)c1cc(N)n[nH]1.CC(C)(C)c1cc(N)no1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cncc(F)c1.CC(C)(C)c1cncnc1.CC(C)(C)c1cncs1.CC(C)(C)c1cncs1.CC(C)(C)c1nc(N)n[nH]1.CC(C)(C)c1nnc(N)o1.CC(C)(C)c1nnc(N)s1.CC(C)(C)c1nncn1N.Cn1c(N)nnc1C(C)(C)C.
What is the InChIKey of 3-tert-butylazetidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-4-methyl-1,2,4-triazol-3-amine;5-tert-butyl-1,3,4-oxadiazol-2-amine;5-tert-butyl-1,2-oxazol-3-amine;5-tert-butyl-1H-pyrazol-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3,4-thiadiazol-2-amine;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butyl-1,2,4-triazol-4-amine;5-tert-butyl-1H-1,2,4-triazol-3-amine;4-tert-butyl-2H-triazole?
The InChIKey is BAMOBRMOJWUAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN.C9H13N.C8H12N2.C8H12S.C7H14N4.C7H13N3.C7H12N2O.2C7H11NS.C7H15N.2C6H12N4.C6H11N3O.C6H11N3S.C6H11N3/c1-9(2,3)7-4-8(10)6-11-5-7;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-4-9-6-10-5-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)5-9-10-6(8)11(5)4;1-7(2,3)5-4-6(8)10-9-5;1-7(2,3)5-4-6(8)9-10-5;2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-5-6;1-6(2,3)5-9-8-4-10(5)7;1-6(2,3)4-8-5(7)10-9-4;2*1-6(2,3)4-8-9-5(7)10-4;1-6(2,3)5-4-7-9-8-5/h4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;1-4H3,(H2,8,10);4H,1-3H3,(H3,8,9,10);4H,1-3H3,(H2,8,9);2*4-5H,1-3H3;6,8H,4-5H2,1-3H3;4H,7H2,1-3H3;1-3H3,(H3,7,8,9,10);2*1-3H3,(H2,7,9);4H,1-3H3,(H,7,8,9).
What are the key properties of 3-tert-butylazetidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-4-methyl-1,2,4-triazol-3-amine;5-tert-butyl-1,3,4-oxadiazol-2-amine;5-tert-butyl-1,2-oxazol-3-amine;5-tert-butyl-1H-pyrazol-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3,4-thiadiazol-2-amine;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butyl-1,2,4-triazol-4-amine;5-tert-butyl-1H-1,2,4-triazol-3-amine;4-tert-butyl-2H-triazole?
3-tert-butylazetidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-4-methyl-1,2,4-triazol-3-amine;5-tert-butyl-1,3,4-oxadiazol-2-amine;5-tert-butyl-1,2-oxazol-3-amine;5-tert-butyl-1H-pyrazol-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3,4-thiadiazol-2-amine;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butyl-1,2,4-triazol-4-amine;5-tert-butyl-1H-1,2,4-triazol-3-amine;4-tert-butyl-2H-triazole has a molecular weight of 2098.12 g/mol, XLogP of 23.83, 0 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylazetidine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-4-methyl-1,2,4-triazol-3-amine;5-tert-butyl-1,3,4-oxadiazol-2-amine;5-tert-butyl-1,2-oxazol-3-amine;5-tert-butyl-1H-pyrazol-3-amine;3-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3,4-thiadiazol-2-amine;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butyl-1,2,4-triazol-4-amine;5-tert-butyl-1H-1,2,4-triazol-3-amine;4-tert-butyl-2H-triazole is sourced from PubChem (CID 157288270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).