N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine

C18H18N4O — CID 30869203

IUPACN-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
SMILESCOc1ccc(CNc2nncc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C18H18N4O/c1-13-5-3-4-6-16(13)17-12-20-22-18(21-17)19-11-14-7-9-15(23-2)10-8-14/h3-10,12H,11H2,1-2H3,(H,19,21,22)
InChIKeyJNRAUTJJXVUHIK-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.47
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine

N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine (PubChem CID 30869203) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
PubChem CID30869203
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
SMILESCOc1ccc(CNc2nncc(-c3ccccc3C)n2)cc1
InChIInChI=1S/C18H18N4O/c1-13-5-3-4-6-16(13)17-12-20-22-18(21-17)19-11-14-7-9-15(23-2)10-8-14/h3-10,12H,11H2,1-2H3,(H,19,21,22)
InChIKeyJNRAUTJJXVUHIK-UHFFFAOYSA-N
XLogP3.47
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
CID 90864949
3-N-[(4-methoxyphenyl)methyl]-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951212
5-N-(2,3-dimethylphenyl)-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112951223
3-[[[5-(2-chlorophenyl)-1,2,4-triazin-3-yl]amino]methyl]-N-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-6-amine
CID 70901941
5-N-[(4-fluorophenyl)methyl]-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949865
N-[[3-(2-methylphenyl)-1H-pyrazol-5-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
CID 70901598
N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
CID 25287488
5-N-[(4-methoxyphenyl)methyl]-3-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112951026
5-(2,4-dimethoxyphenyl)-N-[(3-methyl-4-pyridinyl)methyl]-1,2,4-triazin-3-amine
CID 29150259
5-(2,6-dimethylphenyl)-N-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-1,2,4-triazin-3-amine
CID 68565478
5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine
CID 29089008
5-N-(5-chloro-2-methylphenyl)-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112951241

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine (CID 30869203) is N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine is COc1ccc(CNc2nncc(-c3ccccc3C)n2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine?
The InChIKey is JNRAUTJJXVUHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-5-3-4-6-16(13)17-12-20-22-18(21-17)19-11-14-7-9-15(23-2)10-8-14/h3-10,12H,11H2,1-2H3,(H,19,21,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine?
N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine has a molecular weight of 306.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 30869203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).