2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine

C13H14ClN7 — CID 82698690

IUPAC2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine
SMILESCCc1cc(CC)n(-c2nc(Cl)nc(-n3ccnc3)n2)n1
InChIInChI=1S/C13H14ClN7/c1-3-9-7-10(4-2)21(19-9)13-17-11(14)16-12(18-13)20-6-5-15-8-20/h5-8H,3-4H2,1-2H3
InChIKeyODVLXUMHRJAFJE-UHFFFAOYSA-N
MW303.76 g/mol
LogP2.02
Rot. Bonds4

About 2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine

2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine (PubChem CID 82698690) has the molecular formula C13H14ClN7 and a molecular weight of 303.76 g/mol. Its IUPAC name is 2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine
PubChem CID82698690
Molecular FormulaC13H14ClN7
Molecular Weight303.76 g/mol
Exact Mass303.10
IUPAC Name2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine
SMILESCCc1cc(CC)n(-c2nc(Cl)nc(-n3ccnc3)n2)n1
InChIInChI=1S/C13H14ClN7/c1-3-9-7-10(4-2)21(19-9)13-17-11(14)16-12(18-13)20-6-5-15-8-20/h5-8H,3-4H2,1-2H3
InChIKeyODVLXUMHRJAFJE-UHFFFAOYSA-N
XLogP2.02
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
4-chloro-6-(3,5-diethylpyrazol-1-yl)-1,3,5-triazin-2-amine
CID 82698668
4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 64596820
2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine
CID 62863717
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-ethylamino]ethanol
CID 62862670
6-ethyl-2-imidazol-1-ylpyrimidine-4-carboxylic acid
CID 168879393
2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine
CID 114539087
2-chloro-4-imidazol-1-yl-6-(3-propan-2-ylpyrazol-1-yl)-1,3,5-triazine
CID 62865957
2-tert-butylsulfanyl-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62866681
4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
CID 62864577
4-chloro-6-imidazol-1-yl-N-methyl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 62864215
2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 62865112

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine (CID 82698690) is 2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine is CCc1cc(CC)n(-c2nc(Cl)nc(-n3ccnc3)n2)n1.
What is the InChIKey of 2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine?
The InChIKey is ODVLXUMHRJAFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN7/c1-3-9-7-10(4-2)21(19-9)13-17-11(14)16-12(18-13)20-6-5-15-8-20/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine?
2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine has a molecular weight of 303.76 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,5-diethylpyrazol-1-yl)-6-imidazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 82698690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).