5-benzyl-1-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine

C19H20N4 — CID 172619728

IUPAC5-benzyl-1-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine
SMILESC=Cc1ccc(Cn2nc(NC)nc2Cc2ccccc2)cc1
InChIInChI=1S/C19H20N4/c1-3-15-9-11-17(12-10-15)14-23-18(21-19(20-2)22-23)13-16-7-5-4-6-8-16/h3-12H,1,13-14H2,2H3,(H,20,22)
InChIKeyPGUBDVWNHOZZIA-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.60
Rot. Bonds6

About 5-benzyl-1-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine

5-benzyl-1-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine (PubChem CID 172619728) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-benzyl-1-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-benzyl-1-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine
PubChem CID172619728
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name5-benzyl-1-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine
SMILESC=Cc1ccc(Cn2nc(NC)nc2Cc2ccccc2)cc1
InChIInChI=1S/C19H20N4/c1-3-15-9-11-17(12-10-15)14-23-18(21-19(20-2)22-23)13-16-7-5-4-6-8-16/h3-12H,1,13-14H2,2H3,(H,20,22)
InChIKeyPGUBDVWNHOZZIA-UHFFFAOYSA-N
XLogP3.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-2-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine
CID 172619800
1-[(4-ethenylphenyl)methyl]-N,5-diphenyl-1,2,4-triazol-3-amine
CID 172619651
2-[(4-ethenylphenyl)methyl]-N,5-diphenyl-1,2,4-triazol-3-amine
CID 172619632
5-bromo-1-[(4-ethenylphenyl)methyl]-3-phenyl-1,2,4-triazole
CID 172619561
1-benzyl-6-ethenylindazole
CID 58486291
1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride
CID 173138199
2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole
CID 172619805
1-[(4-ethenylphenyl)methyl]-4-(2-phenylethyl)pyrazine-2,3-dione
CID 22423909
1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
2-[(4-ethenylphenyl)methyl]-N-ethyltetrazol-5-amine
CID 172619680

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-benzyl-1-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine (CID 172619728) is 5-benzyl-1-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-benzyl-1-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-benzyl-1-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine is C=Cc1ccc(Cn2nc(NC)nc2Cc2ccccc2)cc1.
What is the InChIKey of 5-benzyl-1-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine?
The InChIKey is PGUBDVWNHOZZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-3-15-9-11-17(12-10-15)14-23-18(21-19(20-2)22-23)13-16-7-5-4-6-8-16/h3-12H,1,13-14H2,2H3,(H,20,22).
What are the key properties of 5-benzyl-1-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine?
5-benzyl-1-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine has a molecular weight of 304.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-[(4-ethenylphenyl)methyl]-N-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 172619728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).