1-(3-methoxyphenyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]triazole-4-carboxamide

C24H18N6O3 — CID 90299379

IUPAC1-(3-methoxyphenyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]triazole-4-carboxamide
SMILESCOc1cccc(-n2cc(C(=O)Nc3ccc(-c4n[nH]c(=O)c5ccccc45)cc3)nn2)c1
InChIInChI=1S/C24H18N6O3/c1-33-18-6-4-5-17(13-18)30-14-21(26-29-30)24(32)25-16-11-9-15(10-12-16)22-19-7-2-3-8-20(19)23(31)28-27-22/h2-14H,1H3,(H,25,32)(H,28,31)
InChIKeyFZHUFJQITNWIAE-UHFFFAOYSA-N
MW438.45 g/mol
LogP3.43
Rot. Bonds5

About 1-(3-methoxyphenyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]triazole-4-carboxamide

1-(3-methoxyphenyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]triazole-4-carboxamide (PubChem CID 90299379) has the molecular formula C24H18N6O3 and a molecular weight of 438.45 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]triazole-4-carboxamide
PubChem CID90299379
Molecular FormulaC24H18N6O3
Molecular Weight438.45 g/mol
Exact Mass438.14
IUPAC Name1-(3-methoxyphenyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]triazole-4-carboxamide
SMILESCOc1cccc(-n2cc(C(=O)Nc3ccc(-c4n[nH]c(=O)c5ccccc45)cc3)nn2)c1
InChIInChI=1S/C24H18N6O3/c1-33-18-6-4-5-17(13-18)30-14-21(26-29-30)24(32)25-16-11-9-15(10-12-16)22-19-7-2-3-8-20(19)23(31)28-27-22/h2-14H,1H3,(H,25,32)(H,28,31)
InChIKeyFZHUFJQITNWIAE-UHFFFAOYSA-N
XLogP3.43
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide
CID 154801343
1-(2-hydroxy-2-methylpropyl)-N-[4-(6-methoxy-4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide
CID 90299261
2,2,2-trifluoro-1-[1-(3-methoxyphenyl)triazol-4-yl]ethanone
CID 62580870
N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide
CID 39087725
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-phenyltriazole-4-carboxamide
CID 83097160
4-[3-amino-4-[4-(3-methoxyphenyl)piperazin-1-yl]phenyl]-2H-phthalazin-1-one
CID 25271542
7-methoxy-4-[4-(methylamino)phenyl]-2H-phthalazin-1-one
CID 175357159
N-[2,2-difluoro-2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)triazole-4-carboxamide
CID 154797601
1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide
CID 43429821
4-[1-(3-methoxyphenyl)triazol-4-yl]phenol
CID 156521583
1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
CID 53365318
methyl 1-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]triazole-4-carboxylate
CID 119051518

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]triazole-4-carboxamide (CID 90299379) is 1-(3-methoxyphenyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]triazole-4-carboxamide is COc1cccc(-n2cc(C(=O)Nc3ccc(-c4n[nH]c(=O)c5ccccc45)cc3)nn2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]triazole-4-carboxamide?
The InChIKey is FZHUFJQITNWIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O3/c1-33-18-6-4-5-17(13-18)30-14-21(26-29-30)24(32)25-16-11-9-15(10-12-16)22-19-7-2-3-8-20(19)23(31)28-27-22/h2-14H,1H3,(H,25,32)(H,28,31).
What are the key properties of 1-(3-methoxyphenyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]triazole-4-carboxamide?
1-(3-methoxyphenyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]triazole-4-carboxamide has a molecular weight of 438.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 90299379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).