5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine

C20H18N6O — CID 42512816

IUPAC5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(NCc3cn[nH]c3-c3ccccc3)n2)cc1
InChIInChI=1S/C20H18N6O/c1-27-17-9-7-14(8-10-17)18-13-23-26-20(24-18)21-11-16-12-22-25-19(16)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,22,25)(H,21,24,26)
InChIKeyNORDRWGOIOAGEW-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.55
Rot. Bonds6

About 5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine

5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine (PubChem CID 42512816) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine
PubChem CID42512816
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine
SMILESCOc1ccc(-c2cnnc(NCc3cn[nH]c3-c3ccccc3)n2)cc1
InChIInChI=1S/C20H18N6O/c1-27-17-9-7-14(8-10-17)18-13-23-26-20(24-18)21-11-16-12-22-25-19(16)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,22,25)(H,21,24,26)
InChIKeyNORDRWGOIOAGEW-UHFFFAOYSA-N
XLogP3.55
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-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

5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine
CID 29089008
5-(4-butoxyphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1,2,4-triazin-3-amine
CID 70901925
5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine
CID 75517162
1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol
CID 111425263
2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 17450711
6-ethyl-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-5-methyl-1H-pyrimidin-3-ium-2-amine
CID 72889625
1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine
CID 143794069
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 86913988
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 17446645
N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
CID 30869203
1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol
CID 110889941
N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine
CID 42098289

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine (CID 42512816) is 5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine is COc1ccc(-c2cnnc(NCc3cn[nH]c3-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is NORDRWGOIOAGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-27-17-9-7-14(8-10-17)18-13-23-26-20(24-18)21-11-16-12-22-25-19(16)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,22,25)(H,21,24,26).
What are the key properties of 5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine?
5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 358.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 42512816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).