4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C13H10Cl2N6 — CID 107637029

IUPAC4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Cl)c(Nc2nc(Cl)nc(-n3cccn3)n2)c1
InChIInChI=1S/C13H10Cl2N6/c1-8-3-4-9(14)10(7-8)17-12-18-11(15)19-13(20-12)21-6-2-5-16-21/h2-7H,1H3,(H,17,18,19,20)
InChIKeyDAKLFMVGYUNQQJ-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.42
Rot. Bonds3

About 4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 107637029) has the molecular formula C13H10Cl2N6 and a molecular weight of 321.17 g/mol. Its IUPAC name is 4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID107637029
Molecular FormulaC13H10Cl2N6
Molecular Weight321.17 g/mol
Exact Mass320.03
IUPAC Name4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Cl)c(Nc2nc(Cl)nc(-n3cccn3)n2)c1
InChIInChI=1S/C13H10Cl2N6/c1-8-3-4-9(14)10(7-8)17-12-18-11(15)19-13(20-12)21-6-2-5-16-21/h2-7H,1H3,(H,17,18,19,20)
InChIKeyDAKLFMVGYUNQQJ-UHFFFAOYSA-N
XLogP3.42
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62869686
4-chloro-N-(2,3-dichlorophenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62868809
N-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62869497
2-N-(2,5-dimethylphenyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80736572
N-(2-bromo-5-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 107637186
N-(2-bromo-4-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62868310
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]benzonitrile
CID 62868993
6-chloro-2-N-(2-chloro-5-methylphenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 107638979
4-chloro-6-pyrazol-1-yl-N-thiophen-3-yl-1,3,5-triazin-2-amine
CID 66355031
4-hydrazinyl-N-(4-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80912003
N-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 20994610
4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63830003

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 107637029) is 4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is Cc1ccc(Cl)c(Nc2nc(Cl)nc(-n3cccn3)n2)c1.
What is the InChIKey of 4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is DAKLFMVGYUNQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N6/c1-8-3-4-9(14)10(7-8)17-12-18-11(15)19-13(20-12)21-6-2-5-16-21/h2-7H,1H3,(H,17,18,19,20).
What are the key properties of 4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 321.17 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloro-5-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 107637029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).