ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate

C14H15N7O2 — CID 139488219

IUPACethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnn(Cc2cn3nc(C4CC4)ccc3n2)n1
InChIInChI=1S/C14H15N7O2/c1-2-23-14(22)13-16-19-21(18-13)8-10-7-20-12(15-10)6-5-11(17-20)9-3-4-9/h5-7,9H,2-4,8H2,1H3
InChIKeyDVJOQBMJCQOGOT-UHFFFAOYSA-N
MW313.32 g/mol
LogP0.82
Rot. Bonds5

About ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate

ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate (PubChem CID 139488219) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate
PubChem CID139488219
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Nameethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnn(Cc2cn3nc(C4CC4)ccc3n2)n1
InChIInChI=1S/C14H15N7O2/c1-2-23-14(22)13-16-19-21(18-13)8-10-7-20-12(15-10)6-5-11(17-20)9-3-4-9/h5-7,9H,2-4,8H2,1H3
InChIKeyDVJOQBMJCQOGOT-UHFFFAOYSA-N
XLogP0.82
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 6-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 116989673
ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate
CID 139488298
ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate
CID 171811452
ethyl 4-chloro-6-cyclopropylpyrimidine-2-carboxylate
CID 165398321
ethyl 1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139488029
ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487437
ethane;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 156707965
ethyl 2-[6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetate
CID 154659111
ethyl 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]acetate
CID 154659114
[6-(1-methylpiperidin-3-yl)imidazo[1,2-b]pyridazin-2-yl]methanamine
CID 116821666
ethyl 3-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-dihydrotriazole-5-carboxylate
CID 153343819
ethyl 1-benzyl-4-cyclopropylimidazole-2-carboxylate
CID 175214507

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate?
The IUPAC name of ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate (CID 139488219) is ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate is CCOC(=O)c1nnn(Cc2cn3nc(C4CC4)ccc3n2)n1.
What is the InChIKey of ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate?
The InChIKey is DVJOQBMJCQOGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2/c1-2-23-14(22)13-16-19-21(18-13)8-10-7-20-12(15-10)6-5-11(17-20)9-3-4-9/h5-7,9H,2-4,8H2,1H3.
What are the key properties of ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate?
ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate has a molecular weight of 313.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazole-5-carboxylate is sourced from PubChem (CID 139488219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).