4-chloro-5-(3,3-difluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide

C13H14ClF2N7O2 — CID 140927772

IUPAC4-chloro-5-(3,3-difluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCn1nnnc1NC(=O)c1nn(C)c(=O)c(C2CCC(F)(F)C2)c1Cl
InChIInChI=1S/C13H14ClF2N7O2/c1-22-11(25)7(6-3-4-13(15,16)5-6)8(14)9(19-22)10(24)17-12-18-20-21-23(12)2/h6H,3-5H2,1-2H3,(H,17,18,21,24)
InChIKeyRPOXZKUWVDAIFX-UHFFFAOYSA-N
MW373.75 g/mol
LogP1.11
Rot. Bonds3

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

4-chloro-5-(3,3-difluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 140927772) has the molecular formula C13H14ClF2N7O2 and a molecular weight of 373.75 g/mol. Its IUPAC name is 4-chloro-5-(3,3-difluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-(3,3-difluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
PubChem CID140927772
Molecular FormulaC13H14ClF2N7O2
Molecular Weight373.75 g/mol
Exact Mass373.09
IUPAC Name4-chloro-5-(3,3-difluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCn1nnnc1NC(=O)c1nn(C)c(=O)c(C2CCC(F)(F)C2)c1Cl
InChIInChI=1S/C13H14ClF2N7O2/c1-22-11(25)7(6-3-4-13(15,16)5-6)8(14)9(19-22)10(24)17-12-18-20-21-23(12)2/h6H,3-5H2,1-2H3,(H,17,18,21,24)
InChIKeyRPOXZKUWVDAIFX-UHFFFAOYSA-N
XLogP1.11
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.75
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3,3-difluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 4-chloro-5-(3,3-difluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide (CID 140927772) is 4-chloro-5-(3,3-difluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 4-chloro-5-(3,3-difluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 4-chloro-5-(3,3-difluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide is Cn1nnnc1NC(=O)c1nn(C)c(=O)c(C2CCC(F)(F)C2)c1Cl.
What is the InChIKey of 4-chloro-5-(3,3-difluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is RPOXZKUWVDAIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2N7O2/c1-22-11(25)7(6-3-4-13(15,16)5-6)8(14)9(19-22)10(24)17-12-18-20-21-23(12)2/h6H,3-5H2,1-2H3,(H,17,18,21,24).
What are the key properties of 4-chloro-5-(3,3-difluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
4-chloro-5-(3,3-difluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 373.75 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3,3-difluorocyclopentyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 140927772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).