4-chloro-6-(3,5-diethylpyrazol-1-yl)-1,3,5-triazin-2-amine

C10H13ClN6 — CID 82698668

IUPAC4-chloro-6-(3,5-diethylpyrazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCc1cc(CC)n(-c2nc(N)nc(Cl)n2)n1
InChIInChI=1S/C10H13ClN6/c1-3-6-5-7(4-2)17(16-6)10-14-8(11)13-9(12)15-10/h5H,3-4H2,1-2H3,(H2,12,13,14,15)
InChIKeyLXAVSIQYPKBPLW-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.42
Rot. Bonds3

About 4-chloro-6-(3,5-diethylpyrazol-1-yl)-1,3,5-triazin-2-amine

4-chloro-6-(3,5-diethylpyrazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 82698668) has the molecular formula C10H13ClN6 and a molecular weight of 252.71 g/mol. Its IUPAC name is 4-chloro-6-(3,5-diethylpyrazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3,5-diethylpyrazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID82698668
Molecular FormulaC10H13ClN6
Molecular Weight252.71 g/mol
Exact Mass252.09
IUPAC Name4-chloro-6-(3,5-diethylpyrazol-1-yl)-1,3,5-triazin-2-amine
SMILESCCc1cc(CC)n(-c2nc(N)nc(Cl)n2)n1
InChIInChI=1S/C10H13ClN6/c1-3-6-5-7(4-2)17(16-6)10-14-8(11)13-9(12)15-10/h5H,3-4H2,1-2H3,(H2,12,13,14,15)
InChIKeyLXAVSIQYPKBPLW-UHFFFAOYSA-N
XLogP1.42
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine
CID 82698690
2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-methylpyrimidin-5-amine
CID 114044050
4-(3,5-diethylpyrazol-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 82698978
4-(3,5-diethylpyrazol-1-yl)-3-methylaniline
CID 45095734
3,5-dichloro-2-(3,5-diethylpyrazol-1-yl)pyridine
CID 82698804
3-amino-4-(3,5-diethylpyrazol-1-yl)benzonitrile
CID 82692311
[1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine
CID 115041268
1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine
CID 114862591
5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82693817
4-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82694324
4-(3,5-diethylpyrazol-1-yl)-2-methylaniline
CID 82693662
3-chloro-4-(3,5-diethylpyrazol-1-yl)benzamide
CID 82700552

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-diethylpyrazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(3,5-diethylpyrazol-1-yl)-1,3,5-triazin-2-amine (CID 82698668) is 4-chloro-6-(3,5-diethylpyrazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(3,5-diethylpyrazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(3,5-diethylpyrazol-1-yl)-1,3,5-triazin-2-amine is CCc1cc(CC)n(-c2nc(N)nc(Cl)n2)n1.
What is the InChIKey of 4-chloro-6-(3,5-diethylpyrazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is LXAVSIQYPKBPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6/c1-3-6-5-7(4-2)17(16-6)10-14-8(11)13-9(12)15-10/h5H,3-4H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-chloro-6-(3,5-diethylpyrazol-1-yl)-1,3,5-triazin-2-amine?
4-chloro-6-(3,5-diethylpyrazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 252.71 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-diethylpyrazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 82698668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).