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

C11H12N4 — CID 116822961

IUPAC6-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
SMILESCc1ccc(-c2nncnc2N)cc1C
InChIInChI=1S/C11H12N4/c1-7-3-4-9(5-8(7)2)10-11(12)13-6-14-15-10/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyKDYBDTIFVUKGJJ-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.74
Rot. Bonds1

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

6-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine (PubChem CID 116822961) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
PubChem CID116822961
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name6-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
SMILESCc1ccc(-c2nncnc2N)cc1C
InChIInChI=1S/C11H12N4/c1-7-3-4-9(5-8(7)2)10-11(12)13-6-14-15-10/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyKDYBDTIFVUKGJJ-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-(4-bromophenyl)-1,2,4-triazin-5-amine
CID 116822965
6-(4-fluorophenyl)-1,2,4-triazin-5-amine
CID 116822964
3-(3,4-dimethylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 53345583
5-(3,4-dimethylphenyl)-3-methylpyridin-2-amine
CID 83170241
6-(2,5-dimethoxyphenyl)-1,2,4-triazin-5-amine
CID 116822972
2-tert-butyl-6-(3,4-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80975520
4-(3,4-dimethylphenyl)pyridin-2-amine
CID 82398202
6-(3,4-dimethylphenyl)pteridine-2,4,7-triamine
CID 125484319
6-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53353233
3-tert-butyl-5-(3,4-dimethylphenyl)imidazol-4-amine
CID 62018496
6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine
CID 116823026
4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66201499

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 6-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine (CID 116822961) is 6-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine is Cc1ccc(-c2nncnc2N)cc1C.
What is the InChIKey of 6-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine?
The InChIKey is KDYBDTIFVUKGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-7-3-4-9(5-8(7)2)10-11(12)13-6-14-15-10/h3-6H,1-2H3,(H2,12,13,14).
What are the key properties of 6-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine?
6-(3,4-dimethylphenyl)-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 6-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 116822961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).