4-oxo-3-propan-2-yl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide

C19H17N7O2 — CID 4791731

IUPAC4-oxo-3-propan-2-yl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)Nc2ccc(-n3cnnn3)cc2)c2ccccc2c1=O
InChIInChI=1S/C19H17N7O2/c1-12(2)26-19(28)16-6-4-3-5-15(16)17(22-26)18(27)21-13-7-9-14(10-8-13)25-11-20-23-24-25/h3-12H,1-2H3,(H,21,27)
InChIKeyPUSPWCNJQTVFOD-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.21
Rot. Bonds4

About 4-oxo-3-propan-2-yl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide

4-oxo-3-propan-2-yl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide (PubChem CID 4791731) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 4-oxo-3-propan-2-yl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-3-propan-2-yl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide
PubChem CID4791731
Molecular FormulaC19H17N7O2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name4-oxo-3-propan-2-yl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)Nc2ccc(-n3cnnn3)cc2)c2ccccc2c1=O
InChIInChI=1S/C19H17N7O2/c1-12(2)26-19(28)16-6-4-3-5-15(16)17(22-26)18(27)21-13-7-9-14(10-8-13)25-11-20-23-24-25/h3-12H,1-2H3,(H,21,27)
InChIKeyPUSPWCNJQTVFOD-UHFFFAOYSA-N
XLogP2.21
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.21
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-cyclohexyl-4-(tetrazol-1-yl)benzamide
CID 920441
N-(4-acetylphenyl)-4-(1H-tetrazol-1-yl)benzamide
CID 864758
N-[(E)-(2-methylphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 9684494
2-(3-Ethyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-N-(3-methyl-4-tetrazol-1-yl-phenyl)-acetamide
CID 646115
N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 6218761
3-butyl-4-oxo-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide
CID 9502257
3-methyl-4-oxo-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide
CID 9502432
N-Phenethyl-4-tetrazol-1-yl-benzamide
CID 645782
4-oxo-3-propyl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide
CID 2552458
2-(6-Oxo-3-phenyl-6H-pyridazin-1-yl)-N-(4-tetrazol-1-yl-phenyl)-acetamide
CID 3224432
2-(6-Oxo-3-o-tolyl-6H-pyridazin-1-yl)-N-(4-tetrazol-1-yl-phenyl)-acetamide
CID 3224445

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-propan-2-yl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-3-propan-2-yl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide (CID 4791731) is 4-oxo-3-propan-2-yl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-3-propan-2-yl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-3-propan-2-yl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide is CC(C)n1nc(C(=O)Nc2ccc(-n3cnnn3)cc2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-3-propan-2-yl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide?
The InChIKey is PUSPWCNJQTVFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2/c1-12(2)26-19(28)16-6-4-3-5-15(16)17(22-26)18(27)21-13-7-9-14(10-8-13)25-11-20-23-24-25/h3-12H,1-2H3,(H,21,27).
What are the key properties of 4-oxo-3-propan-2-yl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide?
4-oxo-3-propan-2-yl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-propan-2-yl-N-[4-(tetrazol-1-yl)phenyl]phthalazine-1-carboxamide is sourced from PubChem (CID 4791731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).