4-chloro-5-(2-fluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide

C13H15ClFN7O2 — CID 140927776

IUPAC4-chloro-5-(2-fluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCn1nnnc1NC(=O)c1nn(C)c(=O)c(C2CCCC2F)c1Cl
InChIInChI=1S/C13H15ClFN7O2/c1-21-12(24)8(6-4-3-5-7(6)15)9(14)10(18-21)11(23)16-13-17-19-20-22(13)2/h6-7H,3-5H2,1-2H3,(H,16,17,20,23)
InChIKeyRFWQMDONOINCME-UHFFFAOYSA-N
MW355.76 g/mol
LogP0.82
Rot. Bonds3

About 4-chloro-5-(2-fluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide

4-chloro-5-(2-fluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 140927776) has the molecular formula C13H15ClFN7O2 and a molecular weight of 355.76 g/mol. Its IUPAC name is 4-chloro-5-(2-fluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-(2-fluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
PubChem CID140927776
Molecular FormulaC13H15ClFN7O2
Molecular Weight355.76 g/mol
Exact Mass355.10
IUPAC Name4-chloro-5-(2-fluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCn1nnnc1NC(=O)c1nn(C)c(=O)c(C2CCCC2F)c1Cl
InChIInChI=1S/C13H15ClFN7O2/c1-21-12(24)8(6-4-3-5-7(6)15)9(14)10(18-21)11(23)16-13-17-19-20-22(13)2/h6-7H,3-5H2,1-2H3,(H,16,17,20,23)
InChIKeyRFWQMDONOINCME-UHFFFAOYSA-N
XLogP0.82
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.76
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-fluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 4-chloro-5-(2-fluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide (CID 140927776) is 4-chloro-5-(2-fluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 4-chloro-5-(2-fluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 4-chloro-5-(2-fluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide is Cn1nnnc1NC(=O)c1nn(C)c(=O)c(C2CCCC2F)c1Cl.
What is the InChIKey of 4-chloro-5-(2-fluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is RFWQMDONOINCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN7O2/c1-21-12(24)8(6-4-3-5-7(6)15)9(14)10(18-21)11(23)16-13-17-19-20-22(13)2/h6-7H,3-5H2,1-2H3,(H,16,17,20,23).
What are the key properties of 4-chloro-5-(2-fluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
4-chloro-5-(2-fluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 355.76 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-fluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 140927776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).