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

C12H16ClN7O2 — CID 118347353

IUPAC5-butyl-4-chloro-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCCCCc1c(Cl)c(C(=O)Nc2nnnn2C)nn(C)c1=O
InChIInChI=1S/C12H16ClN7O2/c1-4-5-6-7-8(13)9(16-19(2)11(7)22)10(21)14-12-15-17-18-20(12)3/h4-6H2,1-3H3,(H,14,15,18,21)
InChIKeyODNOFVMIFNMHTO-UHFFFAOYSA-N
MW325.76 g/mol
LogP0.55
Rot. Bonds5

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

5-butyl-4-chloro-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 118347353) has the molecular formula C12H16ClN7O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is 5-butyl-4-chloro-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name5-butyl-4-chloro-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
PubChem CID118347353
Molecular FormulaC12H16ClN7O2
Molecular Weight325.76 g/mol
Exact Mass325.11
IUPAC Name5-butyl-4-chloro-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCCCCc1c(Cl)c(C(=O)Nc2nnnn2C)nn(C)c1=O
InChIInChI=1S/C12H16ClN7O2/c1-4-5-6-7-8(13)9(16-19(2)11(7)22)10(21)14-12-15-17-18-20(12)3/h4-6H2,1-3H3,(H,14,15,18,21)
InChIKeyODNOFVMIFNMHTO-UHFFFAOYSA-N
XLogP0.55
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-chloro-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 5-butyl-4-chloro-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide (CID 118347353) is 5-butyl-4-chloro-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 5-butyl-4-chloro-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 5-butyl-4-chloro-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide is CCCCc1c(Cl)c(C(=O)Nc2nnnn2C)nn(C)c1=O.
What is the InChIKey of 5-butyl-4-chloro-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is ODNOFVMIFNMHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN7O2/c1-4-5-6-7-8(13)9(16-19(2)11(7)22)10(21)14-12-15-17-18-20(12)3/h4-6H2,1-3H3,(H,14,15,18,21).
What are the key properties of 5-butyl-4-chloro-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
5-butyl-4-chloro-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 325.76 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-chloro-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 118347353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).