7-methoxy-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-amine

C19H18N6O — CID 167763853

IUPAC7-methoxy-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-amine
SMILESCOc1ccc2cnnc(NCc3nnc(-c4ccccc4)n3C)c2c1
InChIInChI=1S/C19H18N6O/c1-25-17(22-24-19(25)13-6-4-3-5-7-13)12-20-18-16-10-15(26-2)9-8-14(16)11-21-23-18/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyLBGIZQGFFGTZAO-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.05
Rot. Bonds5

About 7-methoxy-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-amine

7-methoxy-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-amine (PubChem CID 167763853) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 7-methoxy-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-amine
PubChem CID167763853
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name7-methoxy-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-amine
SMILESCOc1ccc2cnnc(NCc3nnc(-c4ccccc4)n3C)c2c1
InChIInChI=1S/C19H18N6O/c1-25-17(22-24-19(25)13-6-4-3-5-7-13)12-20-18-16-10-15(26-2)9-8-14(16)11-21-23-18/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyLBGIZQGFFGTZAO-UHFFFAOYSA-N
XLogP3.05
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-methoxy-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5,6-trimethyl-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 136575256
2-[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82128879
1,7-dimethoxyphthalazine
CID 119093543
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-2-methylaniline
CID 62872974
1-chloro-7-methoxyphthalazine
CID 15271578
4-fluoro-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)aniline
CID 71906838
N-ethyl-6-methoxy-2-phenylquinazolin-4-amine
CID 64981044
N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3-methyl-4-phenylisoquinolin-1-amine
CID 11246986
N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methoxyaniline
CID 865441
7-methoxy-1-phenylisoquinoline
CID 86087026
6-methoxy-2-methyl-4-phenylquinoline
CID 12787220
7-methoxy-2-methyl-3-phenylisoquinolin-1-one
CID 12931131

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-amine?
The IUPAC name of 7-methoxy-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-amine (CID 167763853) is 7-methoxy-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-amine.
What is the SMILES notation for 7-methoxy-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-amine?
The canonical SMILES for 7-methoxy-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-amine is COc1ccc2cnnc(NCc3nnc(-c4ccccc4)n3C)c2c1.
What is the InChIKey of 7-methoxy-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-amine?
The InChIKey is LBGIZQGFFGTZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-25-17(22-24-19(25)13-6-4-3-5-7-13)12-20-18-16-10-15(26-2)9-8-14(16)11-21-23-18/h3-11H,12H2,1-2H3,(H,20,23).
What are the key properties of 7-methoxy-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-amine?
7-methoxy-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-amine has a molecular weight of 346.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]phthalazin-1-amine is sourced from PubChem (CID 167763853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).