3-(4-tert-butylphenyl)-N-methyl-1,2,4-triazin-5-amine

C14H18N4 — CID 116823856

IUPAC3-(4-tert-butylphenyl)-N-methyl-1,2,4-triazin-5-amine
SMILESCNc1cnnc(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C14H18N4/c1-14(2,3)11-7-5-10(6-8-11)13-17-12(15-4)9-16-18-13/h5-9H,1-4H3,(H,15,17,18)
InChIKeyVHQNVIFCYSUACW-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.88
Rot. Bonds2

About 3-(4-tert-butylphenyl)-N-methyl-1,2,4-triazin-5-amine

3-(4-tert-butylphenyl)-N-methyl-1,2,4-triazin-5-amine (PubChem CID 116823856) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-methyl-1,2,4-triazin-5-amine
PubChem CID116823856
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name3-(4-tert-butylphenyl)-N-methyl-1,2,4-triazin-5-amine
SMILESCNc1cnnc(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C14H18N4/c1-14(2,3)11-7-5-10(6-8-11)13-17-12(15-4)9-16-18-13/h5-9H,1-4H3,(H,15,17,18)
InChIKeyVHQNVIFCYSUACW-UHFFFAOYSA-N
XLogP2.88
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-tert-butylphenyl)-N-methyl-1,2,4-triazin-5-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

3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823963
2-bromo-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 170722335
4-[4,6-bis[4-(4-tert-butylanilino)phenyl]-1,3,5-triazin-2-yl]-N-(4-tert-butylphenyl)aniline
CID 163749792
2-[4-(4-bromophenyl)phenyl]-4,6-bis(4-tert-butylphenyl)-1,3,5-triazine
CID 67335182
5-tert-butyl-2-[4-(4-tert-butylphenyl)phenyl]pyrimidine;ethane
CID 160558757
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
3,5-bis[4-(4-tert-butylphenyl)phenyl]-1,2,4-oxadiazole
CID 23379869
2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 63485987
2-(4-bromophenyl)-4,6-bis(4-tert-butylphenyl)pyrimidine
CID 118642287
2-(4-tert-butylphenyl)-5-chloropyrimidine
CID 90450772
2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
CID 58261754
N-methyl-3-(6-methyl-1,3-benzodioxol-5-yl)-1,2,4-triazin-5-amine
CID 116823971

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-methyl-1,2,4-triazin-5-amine?
The IUPAC name of 3-(4-tert-butylphenyl)-N-methyl-1,2,4-triazin-5-amine (CID 116823856) is 3-(4-tert-butylphenyl)-N-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-methyl-1,2,4-triazin-5-amine is CNc1cnnc(-c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-methyl-1,2,4-triazin-5-amine?
The InChIKey is VHQNVIFCYSUACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-14(2,3)11-7-5-10(6-8-11)13-17-12(15-4)9-16-18-13/h5-9H,1-4H3,(H,15,17,18).
What are the key properties of 3-(4-tert-butylphenyl)-N-methyl-1,2,4-triazin-5-amine?
3-(4-tert-butylphenyl)-N-methyl-1,2,4-triazin-5-amine has a molecular weight of 242.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).