2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C14H15N7 — CID 80736572

IUPAC2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(C)c(Nc2nc(N)nc(-n3cccn3)n2)c1
InChIInChI=1S/C14H15N7/c1-9-4-5-10(2)11(8-9)17-13-18-12(15)19-14(20-13)21-7-3-6-16-21/h3-8H,1-2H3,(H3,15,17,18,19,20)
InChIKeyJPGXMANKBUCWHU-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.00
Rot. Bonds3

About 2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80736572) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80736572
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(C)c(Nc2nc(N)nc(-n3cccn3)n2)c1
InChIInChI=1S/C14H15N7/c1-9-4-5-10(2)11(8-9)17-13-18-12(15)19-14(20-13)21-7-3-6-16-21/h3-8H,1-2H3,(H3,15,17,18,19,20)
InChIKeyJPGXMANKBUCWHU-UHFFFAOYSA-N
XLogP2.00
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine 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

4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 107637029
2-N-(2,5-dibromophenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80781160
2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80831923
4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80912003
2-N-[2-(dimethylamino)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770186
4-chloro-N-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62869686
2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80763432
3-N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3,5-diamine
CID 100786207
2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 106424400
2-N-(1-imidazol-1-ylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782682
2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778918
2-N-[4-(dimethylamino)butyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80816586

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80736572) is 2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is Cc1ccc(C)c(Nc2nc(N)nc(-n3cccn3)n2)c1.
What is the InChIKey of 2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is JPGXMANKBUCWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7/c1-9-4-5-10(2)11(8-9)17-13-18-12(15)19-14(20-13)21-7-3-6-16-21/h3-8H,1-2H3,(H3,15,17,18,19,20).
What are the key properties of 2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 281.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80736572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).