4-chloro-1-ethyl-N-(1-ethyltetrazol-5-yl)-6-oxo-5-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C17H15ClF3N7O2 — CID 126653126

IUPAC4-chloro-1-ethyl-N-(1-ethyltetrazol-5-yl)-6-oxo-5-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCCn1nnnc1NC(=O)c1nn(CC)c(=O)c(-c2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C17H15ClF3N7O2/c1-3-27-15(30)11(9-5-7-10(8-6-9)17(19,20)21)12(18)13(24-27)14(29)22-16-23-25-26-28(16)4-2/h5-8H,3-4H2,1-2H3,(H,22,23,26,29)
InChIKeyDXBGPJYJEFHHEI-UHFFFAOYSA-N
MW441.80 g/mol
LogP2.86
Rot. Bonds5

About 4-chloro-1-ethyl-N-(1-ethyltetrazol-5-yl)-6-oxo-5-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

4-chloro-1-ethyl-N-(1-ethyltetrazol-5-yl)-6-oxo-5-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 126653126) has the molecular formula C17H15ClF3N7O2 and a molecular weight of 441.80 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(1-ethyltetrazol-5-yl)-6-oxo-5-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(1-ethyltetrazol-5-yl)-6-oxo-5-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID126653126
Molecular FormulaC17H15ClF3N7O2
Molecular Weight441.80 g/mol
Exact Mass441.09
IUPAC Name4-chloro-1-ethyl-N-(1-ethyltetrazol-5-yl)-6-oxo-5-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCCn1nnnc1NC(=O)c1nn(CC)c(=O)c(-c2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C17H15ClF3N7O2/c1-3-27-15(30)11(9-5-7-10(8-6-9)17(19,20)21)12(18)13(24-27)14(29)22-16-23-25-26-28(16)4-2/h5-8H,3-4H2,1-2H3,(H,22,23,26,29)
InChIKeyDXBGPJYJEFHHEI-UHFFFAOYSA-N
XLogP2.86
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.80
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(1-ethyltetrazol-5-yl)-6-oxo-5-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(1-ethyltetrazol-5-yl)-6-oxo-5-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 126653126) is 4-chloro-1-ethyl-N-(1-ethyltetrazol-5-yl)-6-oxo-5-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(1-ethyltetrazol-5-yl)-6-oxo-5-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(1-ethyltetrazol-5-yl)-6-oxo-5-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is CCn1nnnc1NC(=O)c1nn(CC)c(=O)c(-c2ccc(C(F)(F)F)cc2)c1Cl.
What is the InChIKey of 4-chloro-1-ethyl-N-(1-ethyltetrazol-5-yl)-6-oxo-5-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is DXBGPJYJEFHHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N7O2/c1-3-27-15(30)11(9-5-7-10(8-6-9)17(19,20)21)12(18)13(24-27)14(29)22-16-23-25-26-28(16)4-2/h5-8H,3-4H2,1-2H3,(H,22,23,26,29).
What are the key properties of 4-chloro-1-ethyl-N-(1-ethyltetrazol-5-yl)-6-oxo-5-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
4-chloro-1-ethyl-N-(1-ethyltetrazol-5-yl)-6-oxo-5-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 441.80 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-(1-ethyltetrazol-5-yl)-6-oxo-5-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 126653126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).