1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine

C17H18N4 — CID 63641898

IUPAC1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
SMILESCc1ccc(CNCc2n[nH]nc2-c2ccccc2)cc1
InChIInChI=1S/C17H18N4/c1-13-7-9-14(10-8-13)11-18-12-16-17(20-21-19-16)15-5-3-2-4-6-15/h2-10,18H,11-12H2,1H3,(H,19,20,21)
InChIKeyUYIOAPMFIJKXCT-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.07
Rot. Bonds5

About 1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine

1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine (PubChem CID 63641898) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
PubChem CID63641898
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine
SMILESCc1ccc(CNCc2n[nH]nc2-c2ccccc2)cc1
InChIInChI=1S/C17H18N4/c1-13-7-9-14(10-8-13)11-18-12-16-17(20-21-19-16)15-5-3-2-4-6-15/h2-10,18H,11-12H2,1H3,(H,19,20,21)
InChIKeyUYIOAPMFIJKXCT-UHFFFAOYSA-N
XLogP3.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine (CID 63641898) is 1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine is Cc1ccc(CNCc2n[nH]nc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine?
The InChIKey is UYIOAPMFIJKXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-13-7-9-14(10-8-13)11-18-12-16-17(20-21-19-16)15-5-3-2-4-6-15/h2-10,18H,11-12H2,1H3,(H,19,20,21).
What are the key properties of 1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine?
1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine has a molecular weight of 278.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(5-phenyl-2H-triazol-4-yl)methyl]methanamine is sourced from PubChem (CID 63641898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).