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

C14H19Cl2N7O2 — CID 145221582

IUPAC4-chloro-5-(4-chlorohexan-3-yl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCCC(Cl)C(CC)c1c(Cl)c(C(=O)Nc2nnnn2C)nn(C)c1=O
InChIInChI=1S/C14H19Cl2N7O2/c1-5-7(8(15)6-2)9-10(16)11(19-22(3)13(9)25)12(24)17-14-18-20-21-23(14)4/h7-8H,5-6H2,1-4H3,(H,17,18,21,24)
InChIKeyFCZAJZHIXHJRET-UHFFFAOYSA-N
MW388.26 g/mol
LogP1.72
Rot. Bonds6

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

4-chloro-5-(4-chlorohexan-3-yl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 145221582) has the molecular formula C14H19Cl2N7O2 and a molecular weight of 388.26 g/mol. Its IUPAC name is 4-chloro-5-(4-chlorohexan-3-yl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-(4-chlorohexan-3-yl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
PubChem CID145221582
Molecular FormulaC14H19Cl2N7O2
Molecular Weight388.26 g/mol
Exact Mass387.10
IUPAC Name4-chloro-5-(4-chlorohexan-3-yl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCCC(Cl)C(CC)c1c(Cl)c(C(=O)Nc2nnnn2C)nn(C)c1=O
InChIInChI=1S/C14H19Cl2N7O2/c1-5-7(8(15)6-2)9-10(16)11(19-22(3)13(9)25)12(24)17-14-18-20-21-23(14)4/h7-8H,5-6H2,1-4H3,(H,17,18,21,24)
InChIKeyFCZAJZHIXHJRET-UHFFFAOYSA-N
XLogP1.72
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-chlorohexan-3-yl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 4-chloro-5-(4-chlorohexan-3-yl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide (CID 145221582) is 4-chloro-5-(4-chlorohexan-3-yl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 4-chloro-5-(4-chlorohexan-3-yl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 4-chloro-5-(4-chlorohexan-3-yl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide is CCC(Cl)C(CC)c1c(Cl)c(C(=O)Nc2nnnn2C)nn(C)c1=O.
What is the InChIKey of 4-chloro-5-(4-chlorohexan-3-yl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is FCZAJZHIXHJRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N7O2/c1-5-7(8(15)6-2)9-10(16)11(19-22(3)13(9)25)12(24)17-14-18-20-21-23(14)4/h7-8H,5-6H2,1-4H3,(H,17,18,21,24).
What are the key properties of 4-chloro-5-(4-chlorohexan-3-yl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
4-chloro-5-(4-chlorohexan-3-yl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 388.26 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-chlorohexan-3-yl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 145221582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).