6-cyclopropyl-3-methoxy-4-propan-2-ylpyridazine;6-cyclopropyl-N-methyl-4-propan-2-ylpyridazin-3-amine;N,5-dimethyl-3-propan-2-ylpyrazin-2-amine;tris(N,6-dimethyl-4-propan-2-ylpyridazin-3-amine);methane;bis(2-methoxy-5-methyl-3-propan-2-ylpyrazine);tris(3-methoxy-6-methyl-4-propan-2-ylpyridazine);2-methoxy-3-propan-2-ylpyridine;N-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazin-2-amine

C128H216F3N31O7 — CID 167551460

IUPAC6-cyclopropyl-3-methoxy-4-propan-2-ylpyridazine;6-cyclopropyl-N-methyl-4-propan-2-ylpyridazin-3-amine;N,5-dimethyl-3-propan-2-ylpyrazin-2-amine;tris(N,6-dimethyl-4-propan-2-ylpyridazin-3-amine);methane;bis(2-methoxy-5-methyl-3-propan-2-ylpyrazine);tris(3-methoxy-6-methyl-4-propan-2-ylpyridazine);2-methoxy-3-propan-2-ylpyridine;N-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazin-2-amine
SMILESC.C.C.C.C.C.C.CNc1ncc(C(F)(F)F)nc1C(C)C.CNc1ncc(C)nc1C(C)C.CNc1nnc(C)cc1C(C)C.CNc1nnc(C)cc1C(C)C.CNc1nnc(C)cc1C(C)C.CNc1nnc(C2CC2)cc1C(C)C.COc1ncc(C)nc1C(C)C.COc1ncc(C)nc1C(C)C.COc1ncccc1C(C)C.COc1nnc(C)cc1C(C)C.COc1nnc(C)cc1C(C)C.COc1nnc(C)cc1C(C)C.COc1nnc(C2CC2)cc1C(C)C
InChIInChI=1S/C11H17N3.C11H16N2O.C9H12F3N3.4C9H15N3.5C9H14N2O.C9H13NO.7CH4/c1-7(2)9-6-10(8-4-5-8)13-14-11(9)12-3;1-7(2)9-6-10(8-4-5-8)12-13-11(9)14-3;1-5(2)7-8(13-3)14-4-6(15-7)9(10,11)12;1-6(2)8-9(10-4)11-5-7(3)12-8;3*1-6(2)8-5-7(3)11-12-9(8)10-4;2*1-6(2)8-9(12-4)10-5-7(3)11-8;3*1-6(2)8-5-7(3)10-11-9(8)12-4;1-7(2)8-5-4-6-10-9(8)11-3;;;;;;;/h6-8H,4-5H2,1-3H3,(H,12,14);6-8H,4-5H2,1-3H3;4-5H,1-3H3,(H,13,14);5-6H,1-4H3,(H,10,11);3*5-6H,1-4H3,(H,10,12);5*5-6H,1-4H3;4-7H,1-3H3;7*1H4
InChIKeyCLMKLGMLBAKESS-UHFFFAOYSA-N
MW2358.34 g/mol
LogP31.72
Rot. Bonds28

About 6-cyclopropyl-3-methoxy-4-propan-2-ylpyridazine;6-cyclopropyl-N-methyl-4-propan-2-ylpyridazin-3-amine;N,5-dimethyl-3-propan-2-ylpyrazin-2-amine;tris(N,6-dimethyl-4-propan-2-ylpyridazin-3-amine);methane;bis(2-methoxy-5-methyl-3-propan-2-ylpyrazine);tris(3-methoxy-6-methyl-4-propan-2-ylpyridazine);2-methoxy-3-propan-2-ylpyridine;N-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazin-2-amine

6-cyclopropyl-3-methoxy-4-propan-2-ylpyridazine;6-cyclopropyl-N-methyl-4-propan-2-ylpyridazin-3-amine;N,5-dimethyl-3-propan-2-ylpyrazin-2-amine;tris(N,6-dimethyl-4-propan-2-ylpyridazin-3-amine);methane;bis(2-methoxy-5-methyl-3-propan-2-ylpyrazine);tris(3-methoxy-6-methyl-4-propan-2-ylpyridazine);2-methoxy-3-propan-2-ylpyridine;N-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazin-2-amine (PubChem CID 167551460) has the molecular formula C128H216F3N31O7 and a molecular weight of 2358.34 g/mol. Its IUPAC name is 6-cyclopropyl-3-methoxy-4-propan-2-ylpyridazine;6-cyclopropyl-N-methyl-4-propan-2-ylpyridazin-3-amine;N,5-dimethyl-3-propan-2-ylpyrazin-2-amine;tris(N,6-dimethyl-4-propan-2-ylpyridazin-3-amine);methane;bis(2-methoxy-5-methyl-3-propan-2-ylpyrazine);tris(3-methoxy-6-methyl-4-propan-2-ylpyridazine);2-methoxy-3-propan-2-ylpyridine;N-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-cyclopropyl-3-methoxy-4-propan-2-ylpyridazine;6-cyclopropyl-N-methyl-4-propan-2-ylpyridazin-3-amine;N,5-dimethyl-3-propan-2-ylpyrazin-2-amine;tris(N,6-dimethyl-4-propan-2-ylpyridazin-3-amine);methane;bis(2-methoxy-5-methyl-3-propan-2-ylpyrazine);tris(3-methoxy-6-methyl-4-propan-2-ylpyridazine);2-methoxy-3-propan-2-ylpyridine;N-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazin-2-amine
PubChem CID167551460
Molecular FormulaC128H216F3N31O7
Molecular Weight2358.34 g/mol
Exact Mass2356.75
IUPAC Name6-cyclopropyl-3-methoxy-4-propan-2-ylpyridazine;6-cyclopropyl-N-methyl-4-propan-2-ylpyridazin-3-amine;N,5-dimethyl-3-propan-2-ylpyrazin-2-amine;tris(N,6-dimethyl-4-propan-2-ylpyridazin-3-amine);methane;bis(2-methoxy-5-methyl-3-propan-2-ylpyrazine);tris(3-methoxy-6-methyl-4-propan-2-ylpyridazine);2-methoxy-3-propan-2-ylpyridine;N-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazin-2-amine
SMILESC.C.C.C.C.C.C.CNc1ncc(C(F)(F)F)nc1C(C)C.CNc1ncc(C)nc1C(C)C.CNc1nnc(C)cc1C(C)C.CNc1nnc(C)cc1C(C)C.CNc1nnc(C)cc1C(C)C.CNc1nnc(C2CC2)cc1C(C)C.COc1ncc(C)nc1C(C)C.COc1ncc(C)nc1C(C)C.COc1ncccc1C(C)C.COc1nnc(C)cc1C(C)C.COc1nnc(C)cc1C(C)C.COc1nnc(C)cc1C(C)C.COc1nnc(C2CC2)cc1C(C)C
InChIInChI=1S/C11H17N3.C11H16N2O.C9H12F3N3.4C9H15N3.5C9H14N2O.C9H13NO.7CH4/c1-7(2)9-6-10(8-4-5-8)13-14-11(9)12-3;1-7(2)9-6-10(8-4-5-8)12-13-11(9)14-3;1-5(2)7-8(13-3)14-4-6(15-7)9(10,11)12;1-6(2)8-9(10-4)11-5-7(3)12-8;3*1-6(2)8-5-7(3)11-12-9(8)10-4;2*1-6(2)8-9(12-4)10-5-7(3)11-8;3*1-6(2)8-5-7(3)10-11-9(8)12-4;1-7(2)8-5-4-6-10-9(8)11-3;;;;;;;/h6-8H,4-5H2,1-3H3,(H,12,14);6-8H,4-5H2,1-3H3;4-5H,1-3H3,(H,13,14);5-6H,1-4H3,(H,10,11);3*5-6H,1-4H3,(H,10,12);5*5-6H,1-4H3;4-7H,1-3H3;7*1H4
InChIKeyCLMKLGMLBAKESS-UHFFFAOYSA-N
XLogP31.72
TPSA459.04 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds28
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002358.34
LogP ≤ 531.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Analyze 6-cyclopropyl-3-methoxy-4-propan-2-ylpyridazine;6-cyclopropyl-N-methyl-4-propan-2-ylpyridazin-3-amine;N,5-dimethyl-3-propan-2-ylpyrazin-2-amine;tris(N,6-dimethyl-4-propan-2-ylpyridazin-3-amine);methane;bis(2-methoxy-5-methyl-3-propan-2-ylpyrazine);tris(3-methoxy-6-methyl-4-propan-2-ylpyridazine);2-methoxy-3-propan-2-ylpyridine;N-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-methoxy-4-propan-2-ylpyridazine;6-cyclopropyl-N-methyl-4-propan-2-ylpyridazin-3-amine;N,5-dimethyl-3-propan-2-ylpyrazin-2-amine;tris(N,6-dimethyl-4-propan-2-ylpyridazin-3-amine);methane;bis(2-methoxy-5-methyl-3-propan-2-ylpyrazine);tris(3-methoxy-6-methyl-4-propan-2-ylpyridazine);2-methoxy-3-propan-2-ylpyridine;N-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 6-cyclopropyl-3-methoxy-4-propan-2-ylpyridazine;6-cyclopropyl-N-methyl-4-propan-2-ylpyridazin-3-amine;N,5-dimethyl-3-propan-2-ylpyrazin-2-amine;tris(N,6-dimethyl-4-propan-2-ylpyridazin-3-amine);methane;bis(2-methoxy-5-methyl-3-propan-2-ylpyrazine);tris(3-methoxy-6-methyl-4-propan-2-ylpyridazine);2-methoxy-3-propan-2-ylpyridine;N-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazin-2-amine (CID 167551460) is 6-cyclopropyl-3-methoxy-4-propan-2-ylpyridazine;6-cyclopropyl-N-methyl-4-propan-2-ylpyridazin-3-amine;N,5-dimethyl-3-propan-2-ylpyrazin-2-amine;tris(N,6-dimethyl-4-propan-2-ylpyridazin-3-amine);methane;bis(2-methoxy-5-methyl-3-propan-2-ylpyrazine);tris(3-methoxy-6-methyl-4-propan-2-ylpyridazine);2-methoxy-3-propan-2-ylpyridine;N-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 6-cyclopropyl-3-methoxy-4-propan-2-ylpyridazine;6-cyclopropyl-N-methyl-4-propan-2-ylpyridazin-3-amine;N,5-dimethyl-3-propan-2-ylpyrazin-2-amine;tris(N,6-dimethyl-4-propan-2-ylpyridazin-3-amine);methane;bis(2-methoxy-5-methyl-3-propan-2-ylpyrazine);tris(3-methoxy-6-methyl-4-propan-2-ylpyridazine);2-methoxy-3-propan-2-ylpyridine;N-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 6-cyclopropyl-3-methoxy-4-propan-2-ylpyridazine;6-cyclopropyl-N-methyl-4-propan-2-ylpyridazin-3-amine;N,5-dimethyl-3-propan-2-ylpyrazin-2-amine;tris(N,6-dimethyl-4-propan-2-ylpyridazin-3-amine);methane;bis(2-methoxy-5-methyl-3-propan-2-ylpyrazine);tris(3-methoxy-6-methyl-4-propan-2-ylpyridazine);2-methoxy-3-propan-2-ylpyridine;N-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazin-2-amine is C.C.C.C.C.C.C.CNc1ncc(C(F)(F)F)nc1C(C)C.CNc1ncc(C)nc1C(C)C.CNc1nnc(C)cc1C(C)C.CNc1nnc(C)cc1C(C)C.CNc1nnc(C)cc1C(C)C.CNc1nnc(C2CC2)cc1C(C)C.COc1ncc(C)nc1C(C)C.COc1ncc(C)nc1C(C)C.COc1ncccc1C(C)C.COc1nnc(C)cc1C(C)C.COc1nnc(C)cc1C(C)C.COc1nnc(C)cc1C(C)C.COc1nnc(C2CC2)cc1C(C)C.
What is the InChIKey of 6-cyclopropyl-3-methoxy-4-propan-2-ylpyridazine;6-cyclopropyl-N-methyl-4-propan-2-ylpyridazin-3-amine;N,5-dimethyl-3-propan-2-ylpyrazin-2-amine;tris(N,6-dimethyl-4-propan-2-ylpyridazin-3-amine);methane;bis(2-methoxy-5-methyl-3-propan-2-ylpyrazine);tris(3-methoxy-6-methyl-4-propan-2-ylpyridazine);2-methoxy-3-propan-2-ylpyridine;N-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is CLMKLGMLBAKESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.C11H16N2O.C9H12F3N3.4C9H15N3.5C9H14N2O.C9H13NO.7CH4/c1-7(2)9-6-10(8-4-5-8)13-14-11(9)12-3;1-7(2)9-6-10(8-4-5-8)12-13-11(9)14-3;1-5(2)7-8(13-3)14-4-6(15-7)9(10,11)12;1-6(2)8-9(10-4)11-5-7(3)12-8;3*1-6(2)8-5-7(3)11-12-9(8)10-4;2*1-6(2)8-9(12-4)10-5-7(3)11-8;3*1-6(2)8-5-7(3)10-11-9(8)12-4;1-7(2)8-5-4-6-10-9(8)11-3;;;;;;;/h6-8H,4-5H2,1-3H3,(H,12,14);6-8H,4-5H2,1-3H3;4-5H,1-3H3,(H,13,14);5-6H,1-4H3,(H,10,11);3*5-6H,1-4H3,(H,10,12);5*5-6H,1-4H3;4-7H,1-3H3;7*1H4.
What are the key properties of 6-cyclopropyl-3-methoxy-4-propan-2-ylpyridazine;6-cyclopropyl-N-methyl-4-propan-2-ylpyridazin-3-amine;N,5-dimethyl-3-propan-2-ylpyrazin-2-amine;tris(N,6-dimethyl-4-propan-2-ylpyridazin-3-amine);methane;bis(2-methoxy-5-methyl-3-propan-2-ylpyrazine);tris(3-methoxy-6-methyl-4-propan-2-ylpyridazine);2-methoxy-3-propan-2-ylpyridine;N-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazin-2-amine?
6-cyclopropyl-3-methoxy-4-propan-2-ylpyridazine;6-cyclopropyl-N-methyl-4-propan-2-ylpyridazin-3-amine;N,5-dimethyl-3-propan-2-ylpyrazin-2-amine;tris(N,6-dimethyl-4-propan-2-ylpyridazin-3-amine);methane;bis(2-methoxy-5-methyl-3-propan-2-ylpyrazine);tris(3-methoxy-6-methyl-4-propan-2-ylpyridazine);2-methoxy-3-propan-2-ylpyridine;N-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 2358.34 g/mol, XLogP of 31.72, 28 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-methoxy-4-propan-2-ylpyridazine;6-cyclopropyl-N-methyl-4-propan-2-ylpyridazin-3-amine;N,5-dimethyl-3-propan-2-ylpyrazin-2-amine;tris(N,6-dimethyl-4-propan-2-ylpyridazin-3-amine);methane;bis(2-methoxy-5-methyl-3-propan-2-ylpyrazine);tris(3-methoxy-6-methyl-4-propan-2-ylpyridazine);2-methoxy-3-propan-2-ylpyridine;N-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 167551460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).