3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;methane;tris(4-methyl-1-propan-2-ylpyrazole);hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole

C119H221FN40 — CID 158731919

IUPAC3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;methane;tris(4-methyl-1-propan-2-ylpyrazole);hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole
SMILESC.C.C.C.C.C.CC(C)n1cccn1.CC(C)n1cncn1.CCc1ncnn1C(C)C.Cc1c(F)cnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1cnn(C(C)C)c1.Cc1cnn(C(C)C)c1.Cc1cnn(C(C)C)c1.Cc1nc(C)n(C(C)C)n1.Cc1ncn(C(C)C)n1.Cc1ncnn1C(C)C.Cc1ncnn1C(C)C
InChIInChI=1S/C7H11FN2.2C7H13N3.9C7H12N2.3C6H11N3.C6H10N2.C5H9N3.6CH4/c1-5(2)10-6(3)7(8)4-9-10;1-5(2)10-7(4)8-6(3)9-10;1-4-7-8-5-9-10(7)6(2)3;3*1-6(2)9-5-7(3)4-8-9;6*1-6(2)9-7(3)4-5-8-9;1-5(2)9-4-7-6(3)8-9;2*1-5(2)9-6(3)7-4-8-9;1-6(2)8-5-3-4-7-8;1-5(2)8-4-6-3-7-8;;;;;;/h4-5H,1-3H3;5H,1-4H3;5-6H,4H2,1-3H3;9*4-6H,1-3H3;3*4-5H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;6*1H4
InChIKeyILEWLFOCBVEAGW-UHFFFAOYSA-N
MW2231.35 g/mol
LogP30.40
Rot. Bonds18

About 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;methane;tris(4-methyl-1-propan-2-ylpyrazole);hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole

3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;methane;tris(4-methyl-1-propan-2-ylpyrazole);hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole (PubChem CID 158731919) has the molecular formula C119H221FN40 and a molecular weight of 2231.35 g/mol. Its IUPAC name is 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;methane;tris(4-methyl-1-propan-2-ylpyrazole);hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;methane;tris(4-methyl-1-propan-2-ylpyrazole);hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole
PubChem CID158731919
Molecular FormulaC119H221FN40
Molecular Weight2231.35 g/mol
Exact Mass2229.85
IUPAC Name3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;methane;tris(4-methyl-1-propan-2-ylpyrazole);hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole
SMILESC.C.C.C.C.C.CC(C)n1cccn1.CC(C)n1cncn1.CCc1ncnn1C(C)C.Cc1c(F)cnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1cnn(C(C)C)c1.Cc1cnn(C(C)C)c1.Cc1cnn(C(C)C)c1.Cc1nc(C)n(C(C)C)n1.Cc1ncn(C(C)C)n1.Cc1ncnn1C(C)C.Cc1ncnn1C(C)C
InChIInChI=1S/C7H11FN2.2C7H13N3.9C7H12N2.3C6H11N3.C6H10N2.C5H9N3.6CH4/c1-5(2)10-6(3)7(8)4-9-10;1-5(2)10-7(4)8-6(3)9-10;1-4-7-8-5-9-10(7)6(2)3;3*1-6(2)9-5-7(3)4-8-9;6*1-6(2)9-7(3)4-5-8-9;1-5(2)9-4-7-6(3)8-9;2*1-5(2)9-6(3)7-4-8-9;1-6(2)8-5-3-4-7-8;1-5(2)8-4-6-3-7-8;;;;;;/h4-5H,1-3H3;5H,1-4H3;5-6H,4H2,1-3H3;9*4-6H,1-3H3;3*4-5H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;6*1H4
InChIKeyILEWLFOCBVEAGW-UHFFFAOYSA-N
XLogP30.40
TPSA380.28 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds18
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002231.35
LogP ≤ 530.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;methane;tris(4-methyl-1-propan-2-ylpyrazole);hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;methane;tris(4-methyl-1-propan-2-ylpyrazole);hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;methane;tris(4-methyl-1-propan-2-ylpyrazole);hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole (CID 158731919) is 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;methane;tris(4-methyl-1-propan-2-ylpyrazole);hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;methane;tris(4-methyl-1-propan-2-ylpyrazole);hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;methane;tris(4-methyl-1-propan-2-ylpyrazole);hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole is C.C.C.C.C.C.CC(C)n1cccn1.CC(C)n1cncn1.CCc1ncnn1C(C)C.Cc1c(F)cnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1cnn(C(C)C)c1.Cc1cnn(C(C)C)c1.Cc1cnn(C(C)C)c1.Cc1nc(C)n(C(C)C)n1.Cc1ncn(C(C)C)n1.Cc1ncnn1C(C)C.Cc1ncnn1C(C)C.
What is the InChIKey of 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;methane;tris(4-methyl-1-propan-2-ylpyrazole);hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole?
The InChIKey is ILEWLFOCBVEAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2.2C7H13N3.9C7H12N2.3C6H11N3.C6H10N2.C5H9N3.6CH4/c1-5(2)10-6(3)7(8)4-9-10;1-5(2)10-7(4)8-6(3)9-10;1-4-7-8-5-9-10(7)6(2)3;3*1-6(2)9-5-7(3)4-8-9;6*1-6(2)9-7(3)4-5-8-9;1-5(2)9-4-7-6(3)8-9;2*1-5(2)9-6(3)7-4-8-9;1-6(2)8-5-3-4-7-8;1-5(2)8-4-6-3-7-8;;;;;;/h4-5H,1-3H3;5H,1-4H3;5-6H,4H2,1-3H3;9*4-6H,1-3H3;3*4-5H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;6*1H4.
What are the key properties of 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;methane;tris(4-methyl-1-propan-2-ylpyrazole);hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole?
3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;methane;tris(4-methyl-1-propan-2-ylpyrazole);hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole has a molecular weight of 2231.35 g/mol, XLogP of 30.40, 18 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;methane;tris(4-methyl-1-propan-2-ylpyrazole);hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 158731919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).