3-tert-butyl-6-methylpyridazine;bis(3-tert-butyl-4-methylpyridine);3-tert-butyl-5-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;tris(5-tert-butyl-2-methylpyrimidine);5-tert-butyl-2-propylpyridine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)propan-2-one

C164H248N24O — CID 158149057

IUPAC3-tert-butyl-6-methylpyridazine;bis(3-tert-butyl-4-methylpyridine);3-tert-butyl-5-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;tris(5-tert-butyl-2-methylpyrimidine);5-tert-butyl-2-propylpyridine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)propan-2-one
SMILESCC(=O)Cc1ccc(C(C)(C)C)cn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnccn1.CCCc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nn1.Cc1ccncc1C(C)(C)C.Cc1ccncc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)c(N)n1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C12H17NO.C12H19N.6C10H15N.C9H15N3.4C9H14N2.3C9H13N.C8H12N2/c1-9(14)7-11-6-5-10(8-13-11)12(2,3)4;1-5-6-11-8-7-10(9-13-11)12(2,3)4;1-8-5-9(7-11-6-8)10(2,3)4;2*1-8-5-6-11-7-9(8)10(2,3)4;3*1-8-5-6-9(7-11-8)10(2,3)4;1-6-11-5-7(8(10)12-6)9(2,3)4;3*1-7-10-5-8(6-11-7)9(2,3)4;1-7-5-6-8(11-10-7)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7/h5-6,8H,7H2,1-4H3;7-9H,5-6H2,1-4H3;6*5-7H,1-4H3;5H,1-4H3,(H2,10,11,12);4*5-6H,1-4H3;3*4-7H,1-3H3;4-6H,1-3H3
InChIKeyFUWJBLSXOPRFLD-UHFFFAOYSA-N
MW2571.95 g/mol
LogP40.87
Rot. Bonds4

About 3-tert-butyl-6-methylpyridazine;bis(3-tert-butyl-4-methylpyridine);3-tert-butyl-5-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;tris(5-tert-butyl-2-methylpyrimidine);5-tert-butyl-2-propylpyridine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)propan-2-one

3-tert-butyl-6-methylpyridazine;bis(3-tert-butyl-4-methylpyridine);3-tert-butyl-5-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;tris(5-tert-butyl-2-methylpyrimidine);5-tert-butyl-2-propylpyridine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)propan-2-one (PubChem CID 158149057) has the molecular formula C164H248N24O and a molecular weight of 2571.95 g/mol. Its IUPAC name is 3-tert-butyl-6-methylpyridazine;bis(3-tert-butyl-4-methylpyridine);3-tert-butyl-5-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;tris(5-tert-butyl-2-methylpyrimidine);5-tert-butyl-2-propylpyridine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name3-tert-butyl-6-methylpyridazine;bis(3-tert-butyl-4-methylpyridine);3-tert-butyl-5-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;tris(5-tert-butyl-2-methylpyrimidine);5-tert-butyl-2-propylpyridine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)propan-2-one
PubChem CID158149057
Molecular FormulaC164H248N24O
Molecular Weight2571.95 g/mol
Exact Mass2570.01
IUPAC Name3-tert-butyl-6-methylpyridazine;bis(3-tert-butyl-4-methylpyridine);3-tert-butyl-5-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;tris(5-tert-butyl-2-methylpyrimidine);5-tert-butyl-2-propylpyridine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)propan-2-one
SMILESCC(=O)Cc1ccc(C(C)(C)C)cn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnccn1.CCCc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nn1.Cc1ccncc1C(C)(C)C.Cc1ccncc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)c(N)n1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C12H17NO.C12H19N.6C10H15N.C9H15N3.4C9H14N2.3C9H13N.C8H12N2/c1-9(14)7-11-6-5-10(8-13-11)12(2,3)4;1-5-6-11-8-7-10(9-13-11)12(2,3)4;1-8-5-9(7-11-6-8)10(2,3)4;2*1-8-5-6-11-7-9(8)10(2,3)4;3*1-8-5-6-9(7-11-8)10(2,3)4;1-6-11-5-7(8(10)12-6)9(2,3)4;3*1-7-10-5-8(6-11-7)9(2,3)4;1-7-5-6-8(11-10-7)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7/h5-6,8H,7H2,1-4H3;7-9H,5-6H2,1-4H3;6*5-7H,1-4H3;5H,1-4H3,(H2,10,11,12);4*5-6H,1-4H3;3*4-7H,1-3H3;4-6H,1-3H3
InChIKeyFUWJBLSXOPRFLD-UHFFFAOYSA-N
XLogP40.87
TPSA339.56 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds4
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002571.95
LogP ≤ 540.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 3-tert-butyl-6-methylpyridazine;bis(3-tert-butyl-4-methylpyridine);3-tert-butyl-5-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;tris(5-tert-butyl-2-methylpyrimidine);5-tert-butyl-2-propylpyridine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane)
CID 159293267
5-tert-butyl-2,3-dimethylpyridine;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene
CID 165087718
tert-butylbenzene;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;methane
CID 159202689
2-tert-butyl-5-methoxypyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;ethane;methane
CID 160529531
tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine
CID 159945817
2-tert-butyl-6-phenoxypyridine;5-tert-butyl-2-(2-phenylethyl)pyridine;3-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-2-phenylmethoxypyridine;6-tert-butylpyridin-2-amine;2-tert-butylpyridine;bis(3-tert-butylpyridine);6-tert-butyl-1H-pyridin-2-one
CID 165025792
3-bromo-5-tert-butylpyridine;3-tert-butyl-5-chloropyridine;3-tert-butyl-5-ethenylpyridine;2-tert-butyl-6-ethylpyridine;3-tert-butyl-5-ethylpyridine;3-tert-butyl-5-fluoropyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;(6-tert-butyl-2-pyridinyl)methanol;3-tert-butyl-5-(trifluoromethyl)pyridine
CID 159779484
bis(5-tert-butyl-3-chloropyridin-2-amine);bis(6-tert-butyl-3-chloropyridin-2-amine);3-tert-butyl-2-chlorothiophene;4-tert-butyl-2-chlorothiophene;bis(5-tert-butylpyridin-2-amine);bis(6-tert-butylpyridin-2-amine);bis(2-tert-butylpyridine);bis(3-tert-butylpyridine);bis(4-tert-butylpyridine)
CID 158975687
tert-butylbenzene;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;ethane
CID 164964212
tert-butylbenzene;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butylpyridine;3-tert-butylpyridine
CID 157069723
5-tert-butyl-1-methylpyrazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;ethane;methane
CID 158312334
tetrakis(2-tert-butylpyridine);tetrakis(3-tert-butylpyridine);bis(4-tert-butylpyridine);5,5-dimethylhexa-1,3-diene;yttrium
CID 157078453

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methylpyridazine;bis(3-tert-butyl-4-methylpyridine);3-tert-butyl-5-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;tris(5-tert-butyl-2-methylpyrimidine);5-tert-butyl-2-propylpyridine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)propan-2-one?
The IUPAC name of 3-tert-butyl-6-methylpyridazine;bis(3-tert-butyl-4-methylpyridine);3-tert-butyl-5-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;tris(5-tert-butyl-2-methylpyrimidine);5-tert-butyl-2-propylpyridine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)propan-2-one (CID 158149057) is 3-tert-butyl-6-methylpyridazine;bis(3-tert-butyl-4-methylpyridine);3-tert-butyl-5-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;tris(5-tert-butyl-2-methylpyrimidine);5-tert-butyl-2-propylpyridine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)propan-2-one.
What is the SMILES notation for 3-tert-butyl-6-methylpyridazine;bis(3-tert-butyl-4-methylpyridine);3-tert-butyl-5-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;tris(5-tert-butyl-2-methylpyrimidine);5-tert-butyl-2-propylpyridine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)propan-2-one?
The canonical SMILES for 3-tert-butyl-6-methylpyridazine;bis(3-tert-butyl-4-methylpyridine);3-tert-butyl-5-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;tris(5-tert-butyl-2-methylpyrimidine);5-tert-butyl-2-propylpyridine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)propan-2-one is CC(=O)Cc1ccc(C(C)(C)C)cn1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnccn1.CCCc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nn1.Cc1ccncc1C(C)(C)C.Cc1ccncc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)c(N)n1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)(C)C)cn1.Cc1ncc(C(C)(C)C)cn1.
What is the InChIKey of 3-tert-butyl-6-methylpyridazine;bis(3-tert-butyl-4-methylpyridine);3-tert-butyl-5-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;tris(5-tert-butyl-2-methylpyrimidine);5-tert-butyl-2-propylpyridine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)propan-2-one?
The InChIKey is FUWJBLSXOPRFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C12H19N.6C10H15N.C9H15N3.4C9H14N2.3C9H13N.C8H12N2/c1-9(14)7-11-6-5-10(8-13-11)12(2,3)4;1-5-6-11-8-7-10(9-13-11)12(2,3)4;1-8-5-9(7-11-6-8)10(2,3)4;2*1-8-5-6-11-7-9(8)10(2,3)4;3*1-8-5-6-9(7-11-8)10(2,3)4;1-6-11-5-7(8(10)12-6)9(2,3)4;3*1-7-10-5-8(6-11-7)9(2,3)4;1-7-5-6-8(11-10-7)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7/h5-6,8H,7H2,1-4H3;7-9H,5-6H2,1-4H3;6*5-7H,1-4H3;5H,1-4H3,(H2,10,11,12);4*5-6H,1-4H3;3*4-7H,1-3H3;4-6H,1-3H3.
What are the key properties of 3-tert-butyl-6-methylpyridazine;bis(3-tert-butyl-4-methylpyridine);3-tert-butyl-5-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;tris(5-tert-butyl-2-methylpyrimidine);5-tert-butyl-2-propylpyridine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)propan-2-one?
3-tert-butyl-6-methylpyridazine;bis(3-tert-butyl-4-methylpyridine);3-tert-butyl-5-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;tris(5-tert-butyl-2-methylpyrimidine);5-tert-butyl-2-propylpyridine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)propan-2-one has a molecular weight of 2571.95 g/mol, XLogP of 40.87, 4 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methylpyridazine;bis(3-tert-butyl-4-methylpyridine);3-tert-butyl-5-methylpyridine;tris(5-tert-butyl-2-methylpyridine);5-tert-butyl-2-methylpyrimidin-4-amine;tris(5-tert-butyl-2-methylpyrimidine);5-tert-butyl-2-propylpyridine;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-(5-tert-butyl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 158149057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).