5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-ethyl-3-propan-2-ylpyrazole;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine

C74H113ClF3N21O — CID 161306572

IUPAC5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-ethyl-3-propan-2-ylpyrazole;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine
SMILESCC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1cncnn1.CC(C)c1ncc(Cl)cc1C(F)(F)F.CC(C)c1nccnn1.CC(C)c1ncncn1.CCCn1ccc(C(C)C)n1.CCn1ccc(C(C)C)n1.COc1ccc(C(C)C)nc1.Cc1cnc(C(C)C)cn1
InChIInChI=1S/C9H9ClF3N.C9H16N2.C9H13NO.C8H12N2.C8H14N2.C7H12N2.3C6H9N3.C6H10N2/c1-5(2)8-7(9(11,12)13)3-6(10)4-14-8;1-4-6-11-7-5-9(10-11)8(2)3;1-7(2)9-5-4-8(11-3)6-10-9;1-6(2)8-5-9-7(3)4-10-8;1-4-10-6-5-8(9-10)7(2)3;1-6(2)7-4-5-9(3)8-7;1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-7-4-8-9-6;1-5(2)6-7-3-4-8-9-6;1-5(2)6-3-4-7-8-6/h3-5H,1-2H3;5,7-8H,4,6H2,1-3H3;4-7H,1-3H3;4-6H,1-3H3;5-7H,4H2,1-3H3;4-6H,1-3H3;3*3-5H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyVIIBJEGOWUHURK-UHFFFAOYSA-N
MW1405.31 g/mol
LogP18.50
Rot. Bonds14

About 5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-ethyl-3-propan-2-ylpyrazole;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine

5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-ethyl-3-propan-2-ylpyrazole;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine (PubChem CID 161306572) has the molecular formula C74H113ClF3N21O and a molecular weight of 1405.31 g/mol. Its IUPAC name is 5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-ethyl-3-propan-2-ylpyrazole;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-ethyl-3-propan-2-ylpyrazole;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine
PubChem CID161306572
Molecular FormulaC74H113ClF3N21O
Molecular Weight1405.31 g/mol
Exact Mass1403.91
IUPAC Name5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-ethyl-3-propan-2-ylpyrazole;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine
SMILESCC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1cncnn1.CC(C)c1ncc(Cl)cc1C(F)(F)F.CC(C)c1nccnn1.CC(C)c1ncncn1.CCCn1ccc(C(C)C)n1.CCn1ccc(C(C)C)n1.COc1ccc(C(C)C)nc1.Cc1cnc(C(C)C)cn1
InChIInChI=1S/C9H9ClF3N.C9H16N2.C9H13NO.C8H12N2.C8H14N2.C7H12N2.3C6H9N3.C6H10N2/c1-5(2)8-7(9(11,12)13)3-6(10)4-14-8;1-4-6-11-7-5-9(10-11)8(2)3;1-7(2)9-5-4-8(11-3)6-10-9;1-6(2)8-5-9-7(3)4-10-8;1-4-10-6-5-8(9-10)7(2)3;1-6(2)7-4-5-9(3)8-7;1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-7-4-8-9-6;1-5(2)6-7-3-4-8-9-6;1-5(2)6-3-4-7-8-6/h3-5H,1-2H3;5,7-8H,4,6H2,1-3H3;4-7H,1-3H3;4-6H,1-3H3;5-7H,4H2,1-3H3;4-6H,1-3H3;3*3-5H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyVIIBJEGOWUHURK-UHFFFAOYSA-N
XLogP18.50
TPSA258.94 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001405.31
LogP ≤ 518.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-ethyl-3-propan-2-ylpyrazole;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine with MolForge

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Related Compounds

4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-[[4-[4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 124012055
6-[5-[5-[1-(3-fluoropropyl)piperidin-4-yl]pyrazin-2-yl]-4-propan-2-yl-1H-pyrazol-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 156320778
6-[5-[5-[1-(2-fluoroethyl)piperidin-4-yl]pyrazin-2-yl]-4-propan-2-yl-1H-pyrazol-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 156321033
8-methoxy-6-[4-propan-2-yl-5-[5-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-1H-pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 156321411
8-methoxy-6-[5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4-(trifluoromethyl)-1H-pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 156321462
8-methoxy-6-[5-[4-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 156321611
8-methoxy-6-[5-[5-[6-(oxan-4-ylmethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-pyridinyl]-4-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 156321737
6-[5-[5-[4-(cyclobutylmethyl)piperazin-1-yl]-2-pyridinyl]-4-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 156331223
6-[5-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 156331371
8-methoxy-6-[5-[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]-4-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 156331372
8-methoxy-6-[5-[5-(4-propylpiperazin-1-yl)-2-pyridinyl]-4-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 156331373
8-methoxy-6-[5-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 156331374

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-ethyl-3-propan-2-ylpyrazole;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine?
The IUPAC name of 5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-ethyl-3-propan-2-ylpyrazole;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine (CID 161306572) is 5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-ethyl-3-propan-2-ylpyrazole;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine.
What is the SMILES notation for 5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-ethyl-3-propan-2-ylpyrazole;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine?
The canonical SMILES for 5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-ethyl-3-propan-2-ylpyrazole;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine is CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1cncnn1.CC(C)c1ncc(Cl)cc1C(F)(F)F.CC(C)c1nccnn1.CC(C)c1ncncn1.CCCn1ccc(C(C)C)n1.CCn1ccc(C(C)C)n1.COc1ccc(C(C)C)nc1.Cc1cnc(C(C)C)cn1.
What is the InChIKey of 5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-ethyl-3-propan-2-ylpyrazole;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine?
The InChIKey is VIIBJEGOWUHURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N.C9H16N2.C9H13NO.C8H12N2.C8H14N2.C7H12N2.3C6H9N3.C6H10N2/c1-5(2)8-7(9(11,12)13)3-6(10)4-14-8;1-4-6-11-7-5-9(10-11)8(2)3;1-7(2)9-5-4-8(11-3)6-10-9;1-6(2)8-5-9-7(3)4-10-8;1-4-10-6-5-8(9-10)7(2)3;1-6(2)7-4-5-9(3)8-7;1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-7-4-8-9-6;1-5(2)6-7-3-4-8-9-6;1-5(2)6-3-4-7-8-6/h3-5H,1-2H3;5,7-8H,4,6H2,1-3H3;4-7H,1-3H3;4-6H,1-3H3;5-7H,4H2,1-3H3;4-6H,1-3H3;3*3-5H,1-2H3;3-5H,1-2H3,(H,7,8).
What are the key properties of 5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-ethyl-3-propan-2-ylpyrazole;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine?
5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-ethyl-3-propan-2-ylpyrazole;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine has a molecular weight of 1405.31 g/mol, XLogP of 18.50, 14 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;1-ethyl-3-propan-2-ylpyrazole;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1-propylpyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3,5-triazine;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine is sourced from PubChem (CID 161306572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).