5-(2-chloro-4-methylphenyl)-N-(1-ethyltetrazol-5-yl)-1,4-dimethyl-6-oxopyridazine-3-carboxamide

C17H18ClN7O2 — CID 123738350

IUPAC5-(2-chloro-4-methylphenyl)-N-(1-ethyltetrazol-5-yl)-1,4-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCCn1nnnc1NC(=O)c1nn(C)c(=O)c(-c2ccc(C)cc2Cl)c1C
InChIInChI=1S/C17H18ClN7O2/c1-5-25-17(20-22-23-25)19-15(26)14-10(3)13(16(27)24(4)21-14)11-7-6-9(2)8-12(11)18/h6-8H,5H2,1-4H3,(H,19,20,23,26)
InChIKeyQKFOEXGEMSFBIL-UHFFFAOYSA-N
MW387.83 g/mol
LogP1.98
Rot. Bonds4

About 5-(2-chloro-4-methylphenyl)-N-(1-ethyltetrazol-5-yl)-1,4-dimethyl-6-oxopyridazine-3-carboxamide

5-(2-chloro-4-methylphenyl)-N-(1-ethyltetrazol-5-yl)-1,4-dimethyl-6-oxopyridazine-3-carboxamide (PubChem CID 123738350) has the molecular formula C17H18ClN7O2 and a molecular weight of 387.83 g/mol. Its IUPAC name is 5-(2-chloro-4-methylphenyl)-N-(1-ethyltetrazol-5-yl)-1,4-dimethyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-4-methylphenyl)-N-(1-ethyltetrazol-5-yl)-1,4-dimethyl-6-oxopyridazine-3-carboxamide
PubChem CID123738350
Molecular FormulaC17H18ClN7O2
Molecular Weight387.83 g/mol
Exact Mass387.12
IUPAC Name5-(2-chloro-4-methylphenyl)-N-(1-ethyltetrazol-5-yl)-1,4-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCCn1nnnc1NC(=O)c1nn(C)c(=O)c(-c2ccc(C)cc2Cl)c1C
InChIInChI=1S/C17H18ClN7O2/c1-5-25-17(20-22-23-25)19-15(26)14-10(3)13(16(27)24(4)21-14)11-7-6-9(2)8-12(11)18/h6-8H,5H2,1-4H3,(H,19,20,23,26)
InChIKeyQKFOEXGEMSFBIL-UHFFFAOYSA-N
XLogP1.98
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,5-dichloro-N-(1-ethyltetrazol-5-yl)-2-methoxybenzamide
CID 957992
4-(4-chlorophenyl)-2-methyl-3,5-dioxo-N-(1-propyltetrazol-5-yl)-1,2,4-triazine-6-carboxamide
CID 118652771
4-chloro-1-ethyl-N-(1-ethyltetrazol-5-yl)-6-oxo-5-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 126653126
4-chloro-1-methyl-5-(3-methylsulfonylphenyl)-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
CID 118347373
4-chloro-5-cyclopentyl-1-methyl-6-oxo-N-(1-propyltetrazol-5-yl)pyridazine-3-carboxamide
CID 138612962
4-(butylamino)-1,5-dimethyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
CID 118347370
N-(1-ethyltetrazol-5-yl)-3,5-dimethoxybenzamide
CID 957991
N-(1-ethyltetrazol-5-yl)-2,4-dimethyl-3-[(S)-methylsulfinyl]benzamide
CID 125464621
4-hydroxy-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxo-5-phenylpyridazine-3-carboxamide
CID 134354262
N-(1-ethyltetrazol-5-yl)-3-methyl-4-nitrobenzamide
CID 925636
4-chloro-N-(2-ethyl-1,2,4-triazol-3-yl)-1-methyl-6-oxo-5-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 118347338
4-chloro-5-(4-chlorohexan-3-yl)-1-methyl-N-(1-methyltetrazol-5-yl)-6-oxopyridazine-3-carboxamide
CID 145221582

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methylphenyl)-N-(1-ethyltetrazol-5-yl)-1,4-dimethyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 5-(2-chloro-4-methylphenyl)-N-(1-ethyltetrazol-5-yl)-1,4-dimethyl-6-oxopyridazine-3-carboxamide (CID 123738350) is 5-(2-chloro-4-methylphenyl)-N-(1-ethyltetrazol-5-yl)-1,4-dimethyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 5-(2-chloro-4-methylphenyl)-N-(1-ethyltetrazol-5-yl)-1,4-dimethyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 5-(2-chloro-4-methylphenyl)-N-(1-ethyltetrazol-5-yl)-1,4-dimethyl-6-oxopyridazine-3-carboxamide is CCn1nnnc1NC(=O)c1nn(C)c(=O)c(-c2ccc(C)cc2Cl)c1C.
What is the InChIKey of 5-(2-chloro-4-methylphenyl)-N-(1-ethyltetrazol-5-yl)-1,4-dimethyl-6-oxopyridazine-3-carboxamide?
The InChIKey is QKFOEXGEMSFBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN7O2/c1-5-25-17(20-22-23-25)19-15(26)14-10(3)13(16(27)24(4)21-14)11-7-6-9(2)8-12(11)18/h6-8H,5H2,1-4H3,(H,19,20,23,26).
What are the key properties of 5-(2-chloro-4-methylphenyl)-N-(1-ethyltetrazol-5-yl)-1,4-dimethyl-6-oxopyridazine-3-carboxamide?
5-(2-chloro-4-methylphenyl)-N-(1-ethyltetrazol-5-yl)-1,4-dimethyl-6-oxopyridazine-3-carboxamide has a molecular weight of 387.83 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methylphenyl)-N-(1-ethyltetrazol-5-yl)-1,4-dimethyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 123738350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).