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

C13H10ClFN6 — CID 62869686

IUPAC4-chloro-N-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1cc(F)ccc1Nc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C13H10ClFN6/c1-8-7-9(15)3-4-10(8)17-12-18-11(14)19-13(20-12)21-6-2-5-16-21/h2-7H,1H3,(H,17,18,19,20)
InChIKeyBOLPJZLRGLZYFT-UHFFFAOYSA-N
MW304.72 g/mol
LogP2.90
Rot. Bonds3

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

4-chloro-N-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 62869686) has the molecular formula C13H10ClFN6 and a molecular weight of 304.72 g/mol. Its IUPAC name is 4-chloro-N-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID62869686
Molecular FormulaC13H10ClFN6
Molecular Weight304.72 g/mol
Exact Mass304.06
IUPAC Name4-chloro-N-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCc1cc(F)ccc1Nc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C13H10ClFN6/c1-8-7-9(15)3-4-10(8)17-12-18-11(14)19-13(20-12)21-6-2-5-16-21/h2-7H,1H3,(H,17,18,19,20)
InChIKeyBOLPJZLRGLZYFT-UHFFFAOYSA-N
XLogP2.90
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.72
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 62869686) is 4-chloro-N-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is Cc1cc(F)ccc1Nc1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 4-chloro-N-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is BOLPJZLRGLZYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN6/c1-8-7-9(15)3-4-10(8)17-12-18-11(14)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-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 304.72 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluoro-2-methylphenyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).