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

C10H12ClN7O2 — CID 118347368

IUPAC4-chloro-5-ethyl-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCCc1c(Cl)c(C(=O)Nc2nnnn2C)nn(C)c1=O
InChIInChI=1S/C10H12ClN7O2/c1-4-5-6(11)7(14-17(2)9(5)20)8(19)12-10-13-15-16-18(10)3/h4H2,1-3H3,(H,12,13,16,19)
InChIKeyLLAFSKGIEQNDPB-UHFFFAOYSA-N
MW297.71 g/mol
LogP-0.23
Rot. Bonds3

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

4-chloro-5-ethyl-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 118347368) has the molecular formula C10H12ClN7O2 and a molecular weight of 297.71 g/mol. Its IUPAC name is 4-chloro-5-ethyl-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-ethyl-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
PubChem CID118347368
Molecular FormulaC10H12ClN7O2
Molecular Weight297.71 g/mol
Exact Mass297.07
IUPAC Name4-chloro-5-ethyl-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCCc1c(Cl)c(C(=O)Nc2nnnn2C)nn(C)c1=O
InChIInChI=1S/C10H12ClN7O2/c1-4-5-6(11)7(14-17(2)9(5)20)8(19)12-10-13-15-16-18(10)3/h4H2,1-3H3,(H,12,13,16,19)
InChIKeyLLAFSKGIEQNDPB-UHFFFAOYSA-N
XLogP-0.23
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 4-chloro-5-ethyl-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide (CID 118347368) is 4-chloro-5-ethyl-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 4-chloro-5-ethyl-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 4-chloro-5-ethyl-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide is CCc1c(Cl)c(C(=O)Nc2nnnn2C)nn(C)c1=O.
What is the InChIKey of 4-chloro-5-ethyl-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is LLAFSKGIEQNDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN7O2/c1-4-5-6(11)7(14-17(2)9(5)20)8(19)12-10-13-15-16-18(10)3/h4H2,1-3H3,(H,12,13,16,19).
What are the key properties of 4-chloro-5-ethyl-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide?
4-chloro-5-ethyl-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 297.71 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 118347368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).