4,5-dimethyl-2-phenyltriazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethylpyridine;methane;5-methyl-4-(trifluoromethyl)pyrimidine;3,4,5-trimethyl-1,2-oxazole;2,6,7-trimethylpyrazolo[1,5-a]pyrimidine;2,3,4-trimethylpyridine;2,3,6-trimethyl-4-(trifluoromethyl)pyridine

C67H95F6N13OS — CID 159533133

IUPAC4,5-dimethyl-2-phenyltriazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethylpyridine;methane;5-methyl-4-(trifluoromethyl)pyrimidine;3,4,5-trimethyl-1,2-oxazole;2,6,7-trimethylpyrazolo[1,5-a]pyrimidine;2,3,4-trimethylpyridine;2,3,6-trimethyl-4-(trifluoromethyl)pyridine
SMILESC.C.C.C.Cc1cc(C(F)(F)F)c(C)c(C)n1.Cc1cc2ncc(C)c(C)n2n1.Cc1cccnc1C.Cc1ccnc(C)c1C.Cc1cncnc1C(F)(F)F.Cc1nc(C(C)C)sc1C.Cc1nn(-c2ccccc2)nc1C.Cc1noc(C)c1C
InChIInChI=1S/C10H11N3.C9H10F3N.C9H11N3.C8H13NS.C8H11N.C7H9N.C6H5F3N2.C6H9NO.4CH4/c1-8-9(2)12-13(11-8)10-6-4-3-5-7-10;1-5-4-8(9(10,11)12)6(2)7(3)13-5;1-6-5-10-9-4-7(2)11-12(9)8(6)3;1-5(2)8-9-6(3)7(4)10-8;1-6-4-5-9-8(3)7(6)2;1-6-4-3-5-8-7(6)2;1-4-2-10-3-11-5(4)6(7,8)9;1-4-5(2)7-8-6(4)3;;;;/h3-7H,1-2H3;4H,1-3H3;4-5H,1-3H3;5H,1-4H3;4-5H,1-3H3;3-5H,1-2H3;2-3H,1H3;1-3H3;4*1H4
InChIKeyMDGFDACTCGLWIS-UHFFFAOYSA-N
MW1244.64 g/mol
LogP19.10
Rot. Bonds2

About 4,5-dimethyl-2-phenyltriazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethylpyridine;methane;5-methyl-4-(trifluoromethyl)pyrimidine;3,4,5-trimethyl-1,2-oxazole;2,6,7-trimethylpyrazolo[1,5-a]pyrimidine;2,3,4-trimethylpyridine;2,3,6-trimethyl-4-(trifluoromethyl)pyridine

4,5-dimethyl-2-phenyltriazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethylpyridine;methane;5-methyl-4-(trifluoromethyl)pyrimidine;3,4,5-trimethyl-1,2-oxazole;2,6,7-trimethylpyrazolo[1,5-a]pyrimidine;2,3,4-trimethylpyridine;2,3,6-trimethyl-4-(trifluoromethyl)pyridine (PubChem CID 159533133) has the molecular formula C67H95F6N13OS and a molecular weight of 1244.64 g/mol. Its IUPAC name is 4,5-dimethyl-2-phenyltriazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethylpyridine;methane;5-methyl-4-(trifluoromethyl)pyrimidine;3,4,5-trimethyl-1,2-oxazole;2,6,7-trimethylpyrazolo[1,5-a]pyrimidine;2,3,4-trimethylpyridine;2,3,6-trimethyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4,5-dimethyl-2-phenyltriazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethylpyridine;methane;5-methyl-4-(trifluoromethyl)pyrimidine;3,4,5-trimethyl-1,2-oxazole;2,6,7-trimethylpyrazolo[1,5-a]pyrimidine;2,3,4-trimethylpyridine;2,3,6-trimethyl-4-(trifluoromethyl)pyridine
PubChem CID159533133
Molecular FormulaC67H95F6N13OS
Molecular Weight1244.64 g/mol
Exact Mass1243.74
IUPAC Name4,5-dimethyl-2-phenyltriazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethylpyridine;methane;5-methyl-4-(trifluoromethyl)pyrimidine;3,4,5-trimethyl-1,2-oxazole;2,6,7-trimethylpyrazolo[1,5-a]pyrimidine;2,3,4-trimethylpyridine;2,3,6-trimethyl-4-(trifluoromethyl)pyridine
SMILESC.C.C.C.Cc1cc(C(F)(F)F)c(C)c(C)n1.Cc1cc2ncc(C)c(C)n2n1.Cc1cccnc1C.Cc1ccnc(C)c1C.Cc1cncnc1C(F)(F)F.Cc1nc(C(C)C)sc1C.Cc1nn(-c2ccccc2)nc1C.Cc1noc(C)c1C
InChIInChI=1S/C10H11N3.C9H10F3N.C9H11N3.C8H13NS.C8H11N.C7H9N.C6H5F3N2.C6H9NO.4CH4/c1-8-9(2)12-13(11-8)10-6-4-3-5-7-10;1-5-4-8(9(10,11)12)6(2)7(3)13-5;1-6-5-10-9-4-7(2)11-12(9)8(6)3;1-5(2)8-9-6(3)7(4)10-8;1-6-4-5-9-8(3)7(6)2;1-6-4-3-5-8-7(6)2;1-4-2-10-3-11-5(4)6(7,8)9;1-4-5(2)7-8-6(4)3;;;;/h3-7H,1-2H3;4H,1-3H3;4-5H,1-3H3;5H,1-4H3;4-5H,1-3H3;3-5H,1-2H3;2-3H,1H3;1-3H3;4*1H4
InChIKeyMDGFDACTCGLWIS-UHFFFAOYSA-N
XLogP19.10
TPSA164.27 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds2
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001244.64
LogP ≤ 519.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 4,5-dimethyl-2-phenyltriazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethylpyridine;methane;5-methyl-4-(trifluoromethyl)pyrimidine;3,4,5-trimethyl-1,2-oxazole;2,6,7-trimethylpyrazolo[1,5-a]pyrimidine;2,3,4-trimethylpyridine;2,3,6-trimethyl-4-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-phenyltriazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethylpyridine;methane;5-methyl-4-(trifluoromethyl)pyrimidine;3,4,5-trimethyl-1,2-oxazole;2,6,7-trimethylpyrazolo[1,5-a]pyrimidine;2,3,4-trimethylpyridine;2,3,6-trimethyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 4,5-dimethyl-2-phenyltriazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethylpyridine;methane;5-methyl-4-(trifluoromethyl)pyrimidine;3,4,5-trimethyl-1,2-oxazole;2,6,7-trimethylpyrazolo[1,5-a]pyrimidine;2,3,4-trimethylpyridine;2,3,6-trimethyl-4-(trifluoromethyl)pyridine (CID 159533133) is 4,5-dimethyl-2-phenyltriazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethylpyridine;methane;5-methyl-4-(trifluoromethyl)pyrimidine;3,4,5-trimethyl-1,2-oxazole;2,6,7-trimethylpyrazolo[1,5-a]pyrimidine;2,3,4-trimethylpyridine;2,3,6-trimethyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 4,5-dimethyl-2-phenyltriazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethylpyridine;methane;5-methyl-4-(trifluoromethyl)pyrimidine;3,4,5-trimethyl-1,2-oxazole;2,6,7-trimethylpyrazolo[1,5-a]pyrimidine;2,3,4-trimethylpyridine;2,3,6-trimethyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 4,5-dimethyl-2-phenyltriazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethylpyridine;methane;5-methyl-4-(trifluoromethyl)pyrimidine;3,4,5-trimethyl-1,2-oxazole;2,6,7-trimethylpyrazolo[1,5-a]pyrimidine;2,3,4-trimethylpyridine;2,3,6-trimethyl-4-(trifluoromethyl)pyridine is C.C.C.C.Cc1cc(C(F)(F)F)c(C)c(C)n1.Cc1cc2ncc(C)c(C)n2n1.Cc1cccnc1C.Cc1ccnc(C)c1C.Cc1cncnc1C(F)(F)F.Cc1nc(C(C)C)sc1C.Cc1nn(-c2ccccc2)nc1C.Cc1noc(C)c1C.
What is the InChIKey of 4,5-dimethyl-2-phenyltriazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethylpyridine;methane;5-methyl-4-(trifluoromethyl)pyrimidine;3,4,5-trimethyl-1,2-oxazole;2,6,7-trimethylpyrazolo[1,5-a]pyrimidine;2,3,4-trimethylpyridine;2,3,6-trimethyl-4-(trifluoromethyl)pyridine?
The InChIKey is MDGFDACTCGLWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.C9H10F3N.C9H11N3.C8H13NS.C8H11N.C7H9N.C6H5F3N2.C6H9NO.4CH4/c1-8-9(2)12-13(11-8)10-6-4-3-5-7-10;1-5-4-8(9(10,11)12)6(2)7(3)13-5;1-6-5-10-9-4-7(2)11-12(9)8(6)3;1-5(2)8-9-6(3)7(4)10-8;1-6-4-5-9-8(3)7(6)2;1-6-4-3-5-8-7(6)2;1-4-2-10-3-11-5(4)6(7,8)9;1-4-5(2)7-8-6(4)3;;;;/h3-7H,1-2H3;4H,1-3H3;4-5H,1-3H3;5H,1-4H3;4-5H,1-3H3;3-5H,1-2H3;2-3H,1H3;1-3H3;4*1H4.
What are the key properties of 4,5-dimethyl-2-phenyltriazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethylpyridine;methane;5-methyl-4-(trifluoromethyl)pyrimidine;3,4,5-trimethyl-1,2-oxazole;2,6,7-trimethylpyrazolo[1,5-a]pyrimidine;2,3,4-trimethylpyridine;2,3,6-trimethyl-4-(trifluoromethyl)pyridine?
4,5-dimethyl-2-phenyltriazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethylpyridine;methane;5-methyl-4-(trifluoromethyl)pyrimidine;3,4,5-trimethyl-1,2-oxazole;2,6,7-trimethylpyrazolo[1,5-a]pyrimidine;2,3,4-trimethylpyridine;2,3,6-trimethyl-4-(trifluoromethyl)pyridine has a molecular weight of 1244.64 g/mol, XLogP of 19.10, 2 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-phenyltriazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethylpyridine;methane;5-methyl-4-(trifluoromethyl)pyrimidine;3,4,5-trimethyl-1,2-oxazole;2,6,7-trimethylpyrazolo[1,5-a]pyrimidine;2,3,4-trimethylpyridine;2,3,6-trimethyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 159533133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).