4-[1-(4,6-dimethylpyrimidin-2-yl)triazol-4-yl]aniline

C14H14N6 — CID 71613057

IUPAC4-[1-(4,6-dimethylpyrimidin-2-yl)triazol-4-yl]aniline
SMILESCc1cc(C)nc(-n2cc(-c3ccc(N)cc3)nn2)n1
InChIInChI=1S/C14H14N6/c1-9-7-10(2)17-14(16-9)20-8-13(18-19-20)11-3-5-12(15)6-4-11/h3-8H,15H2,1-2H3
InChIKeyLOXWLYAGLICCPH-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.92
Rot. Bonds2

About 4-[1-(4,6-dimethylpyrimidin-2-yl)triazol-4-yl]aniline

4-[1-(4,6-dimethylpyrimidin-2-yl)triazol-4-yl]aniline (PubChem CID 71613057) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-[1-(4,6-dimethylpyrimidin-2-yl)triazol-4-yl]aniline.

Molecular Properties

Compound Name4-[1-(4,6-dimethylpyrimidin-2-yl)triazol-4-yl]aniline
PubChem CID71613057
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name4-[1-(4,6-dimethylpyrimidin-2-yl)triazol-4-yl]aniline
SMILESCc1cc(C)nc(-n2cc(-c3ccc(N)cc3)nn2)n1
InChIInChI=1S/C14H14N6/c1-9-7-10(2)17-14(16-9)20-8-13(18-19-20)11-3-5-12(15)6-4-11/h3-8H,15H2,1-2H3
InChIKeyLOXWLYAGLICCPH-UHFFFAOYSA-N
XLogP1.92
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[4-(3-methylphenyl)triazol-1-yl]-6-phenylpyrimidine
CID 46900690
4-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]aniline
CID 82369720
4-methyl-3-(4-phenyltriazol-1-yl)aniline
CID 82369853
4-[1-(2,4-dimethoxyphenyl)triazol-4-yl]aniline
CID 11702092
2-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine
CID 71552175
3-[4-(4-fluoro-3-methylphenyl)triazol-1-yl]aniline
CID 82369782
3-[4-(3,4-dimethylphenyl)triazol-1-yl]-4-methoxyaniline
CID 82369836
1-(3-methylphenyl)-4-(4-methylphenyl)triazole
CID 153378101
1-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluorophenyl)pyrazol-4-amine
CID 83203239
4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole
CID 141476610
1-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-amine
CID 57289097
1-(4-bromo-2-methylphenyl)-4-(4-bromophenyl)triazole
CID 170665250

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4,6-dimethylpyrimidin-2-yl)triazol-4-yl]aniline?
The IUPAC name of 4-[1-(4,6-dimethylpyrimidin-2-yl)triazol-4-yl]aniline (CID 71613057) is 4-[1-(4,6-dimethylpyrimidin-2-yl)triazol-4-yl]aniline.
What is the SMILES notation for 4-[1-(4,6-dimethylpyrimidin-2-yl)triazol-4-yl]aniline?
The canonical SMILES for 4-[1-(4,6-dimethylpyrimidin-2-yl)triazol-4-yl]aniline is Cc1cc(C)nc(-n2cc(-c3ccc(N)cc3)nn2)n1.
What is the InChIKey of 4-[1-(4,6-dimethylpyrimidin-2-yl)triazol-4-yl]aniline?
The InChIKey is LOXWLYAGLICCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c1-9-7-10(2)17-14(16-9)20-8-13(18-19-20)11-3-5-12(15)6-4-11/h3-8H,15H2,1-2H3.
What are the key properties of 4-[1-(4,6-dimethylpyrimidin-2-yl)triazol-4-yl]aniline?
4-[1-(4,6-dimethylpyrimidin-2-yl)triazol-4-yl]aniline has a molecular weight of 266.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4,6-dimethylpyrimidin-2-yl)triazol-4-yl]aniline is sourced from PubChem (CID 71613057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).