4,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine

C8H8Cl2N6 — CID 169091811

IUPAC4,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine
SMILESCCc1cc(Nc2nc(Cl)nc(Cl)n2)n[nH]1
InChIInChI=1S/C8H8Cl2N6/c1-2-4-3-5(16-15-4)11-8-13-6(9)12-7(10)14-8/h3H,2H2,1H3,(H2,11,12,13,14,15,16)
InChIKeyNREPYWSCHAPNGH-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.21
Rot. Bonds3

About 4,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine (PubChem CID 169091811) has the molecular formula C8H8Cl2N6 and a molecular weight of 259.10 g/mol. Its IUPAC name is 4,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine
PubChem CID169091811
Molecular FormulaC8H8Cl2N6
Molecular Weight259.10 g/mol
Exact Mass258.02
IUPAC Name4,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine
SMILESCCc1cc(Nc2nc(Cl)nc(Cl)n2)n[nH]1
InChIInChI=1S/C8H8Cl2N6/c1-2-4-3-5(16-15-4)11-8-13-6(9)12-7(10)14-8/h3H,2H2,1H3,(H2,11,12,13,14,15,16)
InChIKeyNREPYWSCHAPNGH-UHFFFAOYSA-N
XLogP2.21
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-N-[5-[2-(3,4-difluorophenyl)ethyl]-1H-pyrazol-3-yl]-1,3,5-triazin-2-amine
CID 87599635
N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620650
6-chloro-4-N-[5-[2-(3-fluorophenyl)ethyl]-1H-pyrazol-3-yl]-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 87598440
2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433751
3-(3-chlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)-1,2,4-triazin-5-amine
CID 10214933
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)ethanesulfonamide
CID 107652417
(E)-3-(3,5-dichlorophenyl)-N-(5-ethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 104619610
4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine
CID 135338335
2-[(5-ethyl-1H-pyrazol-3-yl)amino]benzoic acid
CID 56994792
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylpentanamide
CID 114875544
1-bromo-N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104621211

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine (CID 169091811) is 4,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine is CCc1cc(Nc2nc(Cl)nc(Cl)n2)n[nH]1.
What is the InChIKey of 4,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is NREPYWSCHAPNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N6/c1-2-4-3-5(16-15-4)11-8-13-6(9)12-7(10)14-8/h3H,2H2,1H3,(H2,11,12,13,14,15,16).
What are the key properties of 4,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 259.10 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 169091811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).