2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide

C20H19N7O2 — CID 646115

IUPAC2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
SMILESCCn1nc(CC(=O)Nc2ccc(-n3cnnn3)c(C)c2)c2ccccc2c1=O
InChIInChI=1S/C20H19N7O2/c1-3-26-20(29)16-7-5-4-6-15(16)17(23-26)11-19(28)22-14-8-9-18(13(2)10-14)27-12-21-24-25-27/h4-10,12H,3,11H2,1-2H3,(H,22,28)
InChIKeyFOLFYBDJDMEKFR-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.88
Rot. Bonds5

About 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide

2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 646115) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID646115
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
SMILESCCn1nc(CC(=O)Nc2ccc(-n3cnnn3)c(C)c2)c2ccccc2c1=O
InChIInChI=1S/C20H19N7O2/c1-3-26-20(29)16-7-5-4-6-15(16)17(23-26)11-19(28)22-14-8-9-18(13(2)10-14)27-12-21-24-25-27/h4-10,12H,3,11H2,1-2H3,(H,22,28)
InChIKeyFOLFYBDJDMEKFR-UHFFFAOYSA-N
XLogP1.88
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-(1H-tetrazol-1-yl)phenyl)-2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)acetamide
CID 3224439
N-[(E)-(2-methylphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 9684494
3-butyl-4-oxo-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide
CID 9502257
2-(4-oxo-3H-phthalazin-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 16277976
4-oxo-3-propan-2-yl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide
CID 4791731
3-methyl-4-oxo-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide
CID 9502432
N-(2-butan-2-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 16316731
N-[4-(acetylamino)phenyl]-2-(1H-tetrazol-1-yl)benzamide
CID 8701507
2-[3-(2-Fluoro-phenyl)-6-oxo-6H-pyridazin-1-yl]-N-(3-methyl-4-tetrazol-1-yl-phenyl)-acetamide
CID 648035
N-[2-(2-ethyl-5-tetrazolyl)phenyl]-3-(1-tetrazolyl)benzamide
CID 649312
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 2552175
4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide
CID 2552458

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide (CID 646115) is 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide is CCn1nc(CC(=O)Nc2ccc(-n3cnnn3)c(C)c2)c2ccccc2c1=O.
What is the InChIKey of 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is FOLFYBDJDMEKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-3-26-20(29)16-7-5-4-6-15(16)17(23-26)11-19(28)22-14-8-9-18(13(2)10-14)27-12-21-24-25-27/h4-10,12H,3,11H2,1-2H3,(H,22,28).
What are the key properties of 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide?
2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 389.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 646115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).