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

C14H17ClFN7O2 — CID 140927791

IUPAC4-chloro-5-(2-fluorocyclohexyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCn1nnnc1NC(=O)c1nn(C)c(=O)c(C2CCCCC2F)c1Cl
InChIInChI=1S/C14H17ClFN7O2/c1-22-13(25)9(7-5-3-4-6-8(7)16)10(15)11(19-22)12(24)17-14-18-20-21-23(14)2/h7-8H,3-6H2,1-2H3,(H,17,18,21,24)
InChIKeyKWKBEFHRMWCTQN-UHFFFAOYSA-N
MW369.79 g/mol
LogP1.21
Rot. Bonds3

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

4-chloro-5-(2-fluorocyclohexyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 140927791) has the molecular formula C14H17ClFN7O2 and a molecular weight of 369.79 g/mol. Its IUPAC name is 4-chloro-5-(2-fluorocyclohexyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-(2-fluorocyclohexyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
PubChem CID140927791
Molecular FormulaC14H17ClFN7O2
Molecular Weight369.79 g/mol
Exact Mass369.11
IUPAC Name4-chloro-5-(2-fluorocyclohexyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCn1nnnc1NC(=O)c1nn(C)c(=O)c(C2CCCCC2F)c1Cl
InChIInChI=1S/C14H17ClFN7O2/c1-22-13(25)9(7-5-3-4-6-8(7)16)10(15)11(19-22)12(24)17-14-18-20-21-23(14)2/h7-8H,3-6H2,1-2H3,(H,17,18,21,24)
InChIKeyKWKBEFHRMWCTQN-UHFFFAOYSA-N
XLogP1.21
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.79
LogP ≤ 51.21
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-fluorocyclohexyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 4-chloro-5-(2-fluorocyclohexyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide (CID 140927791) is 4-chloro-5-(2-fluorocyclohexyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 4-chloro-5-(2-fluorocyclohexyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 4-chloro-5-(2-fluorocyclohexyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide is Cn1nnnc1NC(=O)c1nn(C)c(=O)c(C2CCCCC2F)c1Cl.
What is the InChIKey of 4-chloro-5-(2-fluorocyclohexyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is KWKBEFHRMWCTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN7O2/c1-22-13(25)9(7-5-3-4-6-8(7)16)10(15)11(19-22)12(24)17-14-18-20-21-23(14)2/h7-8H,3-6H2,1-2H3,(H,17,18,21,24).
What are the key properties of 4-chloro-5-(2-fluorocyclohexyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
4-chloro-5-(2-fluorocyclohexyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 369.79 g/mol, XLogP of 1.21, 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-fluorocyclohexyl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 140927791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).