4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;4-methyl-2-propan-2-yltriazole;5-methyl-1-propan-2-yltriazole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;2-propan-2-yl-5-(trifluoromethyl)tetrazole

C57H104F3N37 — CID 160836490

IUPAC4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;4-methyl-2-propan-2-yltriazole;5-methyl-1-propan-2-yltriazole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;2-propan-2-yl-5-(trifluoromethyl)tetrazole
SMILESCC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cnnn1.CC(C)n1nccn1.CC(C)n1ncnn1.CC(C)n1nnc(C(F)(F)F)n1.Cc1cnn(C(C)C)c1.Cc1cnn(C(C)C)n1.Cc1cnnn1C(C)C.Cc1nnn(C(C)C)n1.Cc1nnnn1C(C)C
InChIInChI=1S/C7H12N2.2C6H11N3.C5H7F3N4.2C5H10N4.3C5H9N3.2C4H8N4/c1-6(2)9-5-7(3)4-8-9;1-5(2)9-6(3)4-7-8-9;1-5(2)9-7-4-6(3)8-9;1-3(2)12-10-4(9-11-12)5(6,7)8;1-4(2)9-5(3)6-7-8-9;1-4(2)9-7-5(3)6-8-9;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8;1-4(2)8-3-5-6-7-8;1-4(2)8-6-3-5-7-8/h4-6H,1-3H3;2*4-5H,1-3H3;3H,1-2H3;2*4H,1-3H3;3*3-5H,1-2H3;2*3-4H,1-2H3
InChIKeySHLZUOHZPJHFMR-UHFFFAOYSA-N
MW1364.71 g/mol
LogP9.59
Rot. Bonds11

About 4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;4-methyl-2-propan-2-yltriazole;5-methyl-1-propan-2-yltriazole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;2-propan-2-yl-5-(trifluoromethyl)tetrazole

4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;4-methyl-2-propan-2-yltriazole;5-methyl-1-propan-2-yltriazole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;2-propan-2-yl-5-(trifluoromethyl)tetrazole (PubChem CID 160836490) has the molecular formula C57H104F3N37 and a molecular weight of 1364.71 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;4-methyl-2-propan-2-yltriazole;5-methyl-1-propan-2-yltriazole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;2-propan-2-yl-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;4-methyl-2-propan-2-yltriazole;5-methyl-1-propan-2-yltriazole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;2-propan-2-yl-5-(trifluoromethyl)tetrazole
PubChem CID160836490
Molecular FormulaC57H104F3N37
Molecular Weight1364.71 g/mol
Exact Mass1363.92
IUPAC Name4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;4-methyl-2-propan-2-yltriazole;5-methyl-1-propan-2-yltriazole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;2-propan-2-yl-5-(trifluoromethyl)tetrazole
SMILESCC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cnnn1.CC(C)n1nccn1.CC(C)n1ncnn1.CC(C)n1nnc(C(F)(F)F)n1.Cc1cnn(C(C)C)c1.Cc1cnn(C(C)C)n1.Cc1cnnn1C(C)C.Cc1nnn(C(C)C)n1.Cc1nnnn1C(C)C
InChIInChI=1S/C7H12N2.2C6H11N3.C5H7F3N4.2C5H10N4.3C5H9N3.2C4H8N4/c1-6(2)9-5-7(3)4-8-9;1-5(2)9-6(3)4-7-8-9;1-5(2)9-7-4-6(3)8-9;1-3(2)12-10-4(9-11-12)5(6,7)8;1-4(2)9-5(3)6-7-8-9;1-4(2)9-7-5(3)6-8-9;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8;1-4(2)8-3-5-6-7-8;1-4(2)8-6-3-5-7-8/h4-6H,1-3H3;2*4-5H,1-3H3;3H,1-2H3;2*4H,1-3H3;3*3-5H,1-2H3;2*3-4H,1-2H3
InChIKeySHLZUOHZPJHFMR-UHFFFAOYSA-N
XLogP9.59
TPSA389.37 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds11
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001364.71
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze 4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;4-methyl-2-propan-2-yltriazole;5-methyl-1-propan-2-yltriazole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;2-propan-2-yl-5-(trifluoromethyl)tetrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;4-methyl-2-propan-2-yltriazole;5-methyl-1-propan-2-yltriazole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;2-propan-2-yl-5-(trifluoromethyl)tetrazole?
The IUPAC name of 4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;4-methyl-2-propan-2-yltriazole;5-methyl-1-propan-2-yltriazole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;2-propan-2-yl-5-(trifluoromethyl)tetrazole (CID 160836490) is 4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;4-methyl-2-propan-2-yltriazole;5-methyl-1-propan-2-yltriazole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;2-propan-2-yl-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;4-methyl-2-propan-2-yltriazole;5-methyl-1-propan-2-yltriazole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;2-propan-2-yl-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;4-methyl-2-propan-2-yltriazole;5-methyl-1-propan-2-yltriazole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;2-propan-2-yl-5-(trifluoromethyl)tetrazole is CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cnnn1.CC(C)n1nccn1.CC(C)n1ncnn1.CC(C)n1nnc(C(F)(F)F)n1.Cc1cnn(C(C)C)c1.Cc1cnn(C(C)C)n1.Cc1cnnn1C(C)C.Cc1nnn(C(C)C)n1.Cc1nnnn1C(C)C.
What is the InChIKey of 4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;4-methyl-2-propan-2-yltriazole;5-methyl-1-propan-2-yltriazole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;2-propan-2-yl-5-(trifluoromethyl)tetrazole?
The InChIKey is SHLZUOHZPJHFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.2C6H11N3.C5H7F3N4.2C5H10N4.3C5H9N3.2C4H8N4/c1-6(2)9-5-7(3)4-8-9;1-5(2)9-6(3)4-7-8-9;1-5(2)9-7-4-6(3)8-9;1-3(2)12-10-4(9-11-12)5(6,7)8;1-4(2)9-5(3)6-7-8-9;1-4(2)9-7-5(3)6-8-9;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8;1-4(2)8-3-5-6-7-8;1-4(2)8-6-3-5-7-8/h4-6H,1-3H3;2*4-5H,1-3H3;3H,1-2H3;2*4H,1-3H3;3*3-5H,1-2H3;2*3-4H,1-2H3.
What are the key properties of 4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;4-methyl-2-propan-2-yltriazole;5-methyl-1-propan-2-yltriazole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;2-propan-2-yl-5-(trifluoromethyl)tetrazole?
4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;4-methyl-2-propan-2-yltriazole;5-methyl-1-propan-2-yltriazole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;2-propan-2-yl-5-(trifluoromethyl)tetrazole has a molecular weight of 1364.71 g/mol, XLogP of 9.59, 11 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-ylpyrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;4-methyl-2-propan-2-yltriazole;5-methyl-1-propan-2-yltriazole;1-propan-2-yltetrazole;2-propan-2-yltetrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;2-propan-2-yl-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 160836490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).