6-(cyclopropylmethoxy)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one;ethane;3-methylpyridine

C21H30N6O2S — CID 144699855

IUPAC6-(cyclopropylmethoxy)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one;ethane;3-methylpyridine
SMILESCC.Cc1cccnc1.Cc1nnc(CNc2cc(OCC3CC3)nn(C)c2=O)s1
InChIInChI=1S/C13H17N5O2S.C6H7N.C2H6/c1-8-15-16-12(21-8)6-14-10-5-11(17-18(2)13(10)19)20-7-9-3-4-9;1-6-3-2-4-7-5-6;1-2/h5,9,14H,3-4,6-7H2,1-2H3;2-5H,1H3;1-2H3
InChIKeyUBLUAKSBOGHWMA-UHFFFAOYSA-N
MW430.58 g/mol
LogP3.76
Rot. Bonds6

About 6-(cyclopropylmethoxy)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one;ethane;3-methylpyridine

6-(cyclopropylmethoxy)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one;ethane;3-methylpyridine (PubChem CID 144699855) has the molecular formula C21H30N6O2S and a molecular weight of 430.58 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one;ethane;3-methylpyridine.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one;ethane;3-methylpyridine
PubChem CID144699855
Molecular FormulaC21H30N6O2S
Molecular Weight430.58 g/mol
Exact Mass430.22
IUPAC Name6-(cyclopropylmethoxy)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one;ethane;3-methylpyridine
SMILESCC.Cc1cccnc1.Cc1nnc(CNc2cc(OCC3CC3)nn(C)c2=O)s1
InChIInChI=1S/C13H17N5O2S.C6H7N.C2H6/c1-8-15-16-12(21-8)6-14-10-5-11(17-18(2)13(10)19)20-7-9-3-4-9;1-6-3-2-4-7-5-6;1-2/h5,9,14H,3-4,6-7H2,1-2H3;2-5H,1H3;1-2H3
InChIKeyUBLUAKSBOGHWMA-UHFFFAOYSA-N
XLogP3.76
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one;ethane;3-methylpyridine?
The IUPAC name of 6-(cyclopropylmethoxy)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one;ethane;3-methylpyridine (CID 144699855) is 6-(cyclopropylmethoxy)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one;ethane;3-methylpyridine.
What is the SMILES notation for 6-(cyclopropylmethoxy)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one;ethane;3-methylpyridine?
The canonical SMILES for 6-(cyclopropylmethoxy)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one;ethane;3-methylpyridine is CC.Cc1cccnc1.Cc1nnc(CNc2cc(OCC3CC3)nn(C)c2=O)s1.
What is the InChIKey of 6-(cyclopropylmethoxy)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one;ethane;3-methylpyridine?
The InChIKey is UBLUAKSBOGHWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S.C6H7N.C2H6/c1-8-15-16-12(21-8)6-14-10-5-11(17-18(2)13(10)19)20-7-9-3-4-9;1-6-3-2-4-7-5-6;1-2/h5,9,14H,3-4,6-7H2,1-2H3;2-5H,1H3;1-2H3.
What are the key properties of 6-(cyclopropylmethoxy)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one;ethane;3-methylpyridine?
6-(cyclopropylmethoxy)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one;ethane;3-methylpyridine has a molecular weight of 430.58 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazin-3-one;ethane;3-methylpyridine is sourced from PubChem (CID 144699855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).