5-(4-tert-butyl-2-methylphenyl)-1,2,4-triazin-3-amine

C14H18N4 — CID 82477837

IUPAC5-(4-tert-butyl-2-methylphenyl)-1,2,4-triazin-3-amine
SMILESCc1cc(C(C)(C)C)ccc1-c1cnnc(N)n1
InChIInChI=1S/C14H18N4/c1-9-7-10(14(2,3)4)5-6-11(9)12-8-16-18-13(15)17-12/h5-8H,1-4H3,(H2,15,17,18)
InChIKeyHPFNCXINXMERHX-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.73
Rot. Bonds1

About 5-(4-tert-butyl-2-methylphenyl)-1,2,4-triazin-3-amine

5-(4-tert-butyl-2-methylphenyl)-1,2,4-triazin-3-amine (PubChem CID 82477837) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-methylphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-tert-butyl-2-methylphenyl)-1,2,4-triazin-3-amine
PubChem CID82477837
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-(4-tert-butyl-2-methylphenyl)-1,2,4-triazin-3-amine
SMILESCc1cc(C(C)(C)C)ccc1-c1cnnc(N)n1
InChIInChI=1S/C14H18N4/c1-9-7-10(14(2,3)4)5-6-11(9)12-8-16-18-13(15)17-12/h5-8H,1-4H3,(H2,15,17,18)
InChIKeyHPFNCXINXMERHX-UHFFFAOYSA-N
XLogP2.73
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine
CID 82474477
5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine
CID 82478515
5-(5-fluoro-2-methoxyphenyl)-1,2,4-triazin-3-amine
CID 82392808
4-(4-tert-butyl-2-methylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 82484831
5-tert-butyl-2-methylaniline
CID 13089979
3-(4-tert-butyl-2-methylphenyl)-1-methylpyrazole-5-carboxylic acid
CID 82488597
5-(3-methyl-1,2-thiazol-5-yl)-1,2,4-triazin-3-amine
CID 82402081
5-(3,5-dichloro-2-methoxyphenyl)-1,2,4-triazin-3-amine
CID 96667856
5-(2-propan-2-yloxyphenyl)-1,2,4-triazin-3-amine
CID 68627887
[4-(4-tert-butyl-2-methylphenyl)pyrimidin-2-yl]methanol
CID 116899472
5-(4-tert-butyl-2-methylphenyl)thiophen-2-amine
CID 82479198
2-[3-(4-tert-butyl-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82483721

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2-methylphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-tert-butyl-2-methylphenyl)-1,2,4-triazin-3-amine (CID 82477837) is 5-(4-tert-butyl-2-methylphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-tert-butyl-2-methylphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-tert-butyl-2-methylphenyl)-1,2,4-triazin-3-amine is Cc1cc(C(C)(C)C)ccc1-c1cnnc(N)n1.
What is the InChIKey of 5-(4-tert-butyl-2-methylphenyl)-1,2,4-triazin-3-amine?
The InChIKey is HPFNCXINXMERHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-9-7-10(14(2,3)4)5-6-11(9)12-8-16-18-13(15)17-12/h5-8H,1-4H3,(H2,15,17,18).
What are the key properties of 5-(4-tert-butyl-2-methylphenyl)-1,2,4-triazin-3-amine?
5-(4-tert-butyl-2-methylphenyl)-1,2,4-triazin-3-amine has a molecular weight of 242.33 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butyl-2-methylphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 82477837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).