6-tert-butyl-2-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridazin-3-one

C14H21N5OS — CID 82443589

IUPAC6-tert-butyl-2-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridazin-3-one
SMILESCCNc1nnc(-c2cc(C(C)(C)C)nn(CC)c2=O)s1
InChIInChI=1S/C14H21N5OS/c1-6-15-13-17-16-11(21-13)9-8-10(14(3,4)5)18-19(7-2)12(9)20/h8H,6-7H2,1-5H3,(H,15,17)
InChIKeyRRVJXFZDQNRGPX-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.51
Rot. Bonds4

About 6-tert-butyl-2-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridazin-3-one

6-tert-butyl-2-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridazin-3-one (PubChem CID 82443589) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 6-tert-butyl-2-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridazin-3-one
PubChem CID82443589
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name6-tert-butyl-2-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridazin-3-one
SMILESCCNc1nnc(-c2cc(C(C)(C)C)nn(CC)c2=O)s1
InChIInChI=1S/C14H21N5OS/c1-6-15-13-17-16-11(21-13)9-8-10(14(3,4)5)18-19(7-2)12(9)20/h8H,6-7H2,1-5H3,(H,15,17)
InChIKeyRRVJXFZDQNRGPX-UHFFFAOYSA-N
XLogP2.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridazin-3-one (CID 82443589) is 6-tert-butyl-2-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridazin-3-one is CCNc1nnc(-c2cc(C(C)(C)C)nn(CC)c2=O)s1.
What is the InChIKey of 6-tert-butyl-2-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridazin-3-one?
The InChIKey is RRVJXFZDQNRGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-6-15-13-17-16-11(21-13)9-8-10(14(3,4)5)18-19(7-2)12(9)20/h8H,6-7H2,1-5H3,(H,15,17).
What are the key properties of 6-tert-butyl-2-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridazin-3-one?
6-tert-butyl-2-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridazin-3-one has a molecular weight of 307.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]pyridazin-3-one is sourced from PubChem (CID 82443589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).