2-chloro-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazine

C10H8ClN7O — CID 81341465

IUPAC2-chloro-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazine
SMILESCc1cc(Oc2nc(Cl)nc(-n3ccnc3)n2)n[nH]1
InChIInChI=1S/C10H8ClN7O/c1-6-4-7(17-16-6)19-10-14-8(11)13-9(15-10)18-3-2-12-5-18/h2-5H,1H3,(H,16,17)
InChIKeySIIJKLFTBKWGNA-UHFFFAOYSA-N
MW277.68 g/mol
LogP1.53
Rot. Bonds3

About 2-chloro-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazine

2-chloro-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazine (PubChem CID 81341465) has the molecular formula C10H8ClN7O and a molecular weight of 277.68 g/mol. Its IUPAC name is 2-chloro-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazine
PubChem CID81341465
Molecular FormulaC10H8ClN7O
Molecular Weight277.68 g/mol
Exact Mass277.05
IUPAC Name2-chloro-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazine
SMILESCc1cc(Oc2nc(Cl)nc(-n3ccnc3)n2)n[nH]1
InChIInChI=1S/C10H8ClN7O/c1-6-4-7(17-16-6)19-10-14-8(11)13-9(15-10)18-3-2-12-5-18/h2-5H,1H3,(H,16,17)
InChIKeySIIJKLFTBKWGNA-UHFFFAOYSA-N
XLogP1.53
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazine (CID 81341465) is 2-chloro-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazine is Cc1cc(Oc2nc(Cl)nc(-n3ccnc3)n2)n[nH]1.
What is the InChIKey of 2-chloro-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazine?
The InChIKey is SIIJKLFTBKWGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN7O/c1-6-4-7(17-16-6)19-10-14-8(11)13-9(15-10)18-3-2-12-5-18/h2-5H,1H3,(H,16,17).
What are the key properties of 2-chloro-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazine?
2-chloro-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazine has a molecular weight of 277.68 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-imidazol-1-yl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-1,3,5-triazine is sourced from PubChem (CID 81341465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).