5-(2-methylphenyl)-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine

C14H16N4 — CID 25299025

IUPAC5-(2-methylphenyl)-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine
SMILESC=C(C)CNc1nncc(-c2ccccc2C)n1
InChIInChI=1S/C14H16N4/c1-10(2)8-15-14-17-13(9-16-18-14)12-7-5-4-6-11(12)3/h4-7,9H,1,8H2,2-3H3,(H,15,17,18)
InChIKeyFDVXDWZHAHRURK-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.84
Rot. Bonds4

About 5-(2-methylphenyl)-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine

5-(2-methylphenyl)-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine (PubChem CID 25299025) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-(2-methylphenyl)-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2-methylphenyl)-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine
PubChem CID25299025
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name5-(2-methylphenyl)-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine
SMILESC=C(C)CNc1nncc(-c2ccccc2C)n1
InChIInChI=1S/C14H16N4/c1-10(2)8-15-14-17-13(9-16-18-14)12-7-5-4-6-11(12)3/h4-7,9H,1,8H2,2-3H3,(H,15,17,18)
InChIKeyFDVXDWZHAHRURK-UHFFFAOYSA-N
XLogP2.84
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2-methylphenyl)-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine (CID 25299025) is 5-(2-methylphenyl)-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2-methylphenyl)-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2-methylphenyl)-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine is C=C(C)CNc1nncc(-c2ccccc2C)n1.
What is the InChIKey of 5-(2-methylphenyl)-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine?
The InChIKey is FDVXDWZHAHRURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10(2)8-15-14-17-13(9-16-18-14)12-7-5-4-6-11(12)3/h4-7,9H,1,8H2,2-3H3,(H,15,17,18).
What are the key properties of 5-(2-methylphenyl)-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine?
5-(2-methylphenyl)-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine has a molecular weight of 240.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-N-(2-methylprop-2-enyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 25299025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).