3-methyl-6-(3-methylphenyl)-1,2,4-triazin-5-amine

C11H12N4 — CID 116823512

IUPAC3-methyl-6-(3-methylphenyl)-1,2,4-triazin-5-amine
SMILESCc1cccc(-c2nnc(C)nc2N)c1
InChIInChI=1S/C11H12N4/c1-7-4-3-5-9(6-7)10-11(12)13-8(2)14-15-10/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyQVFBWPMVBILHNW-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.74
Rot. Bonds1

About 3-methyl-6-(3-methylphenyl)-1,2,4-triazin-5-amine

3-methyl-6-(3-methylphenyl)-1,2,4-triazin-5-amine (PubChem CID 116823512) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-methyl-6-(3-methylphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-methyl-6-(3-methylphenyl)-1,2,4-triazin-5-amine
PubChem CID116823512
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name3-methyl-6-(3-methylphenyl)-1,2,4-triazin-5-amine
SMILESCc1cccc(-c2nnc(C)nc2N)c1
InChIInChI=1S/C11H12N4/c1-7-4-3-5-9(6-7)10-11(12)13-8(2)14-15-10/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyQVFBWPMVBILHNW-UHFFFAOYSA-N
XLogP1.74
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dichlorophenyl)-3-methyl-1,2,4-triazin-5-amine
CID 116823509
2-methyl-5-(3-methylphenyl)pyrimidin-4-amine
CID 62899429
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1,2,4-triazin-5-amine
CID 116823432
4,6-bis(3-methylphenyl)pyrimidin-2-amine
CID 75360131
4,6-dimethyl-2-(3-methylphenyl)pyrimidine
CID 55264289
4-(3-methylphenyl)-2-phenyl-1,3-thiazol-5-amine
CID 55034297
2-methyl-6-(3-methylphenyl)pteridin-4-amine
CID 155363915
4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole
CID 118532825
4-chloro-6-(3-methylphenyl)pyridazin-3-amine
CID 117106954
2-amino-6-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 4632984
6-methyl-2-(3-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617091
6-methyl-3-(3-methylphenyl)isoquinolin-1-amine
CID 24957048

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(3-methylphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-methyl-6-(3-methylphenyl)-1,2,4-triazin-5-amine (CID 116823512) is 3-methyl-6-(3-methylphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-methyl-6-(3-methylphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-methyl-6-(3-methylphenyl)-1,2,4-triazin-5-amine is Cc1cccc(-c2nnc(C)nc2N)c1.
What is the InChIKey of 3-methyl-6-(3-methylphenyl)-1,2,4-triazin-5-amine?
The InChIKey is QVFBWPMVBILHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-7-4-3-5-9(6-7)10-11(12)13-8(2)14-15-10/h3-6H,1-2H3,(H2,12,13,14).
What are the key properties of 3-methyl-6-(3-methylphenyl)-1,2,4-triazin-5-amine?
3-methyl-6-(3-methylphenyl)-1,2,4-triazin-5-amine has a molecular weight of 200.24 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(3-methylphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).