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

C10H8ClN7 — CID 55124917

IUPAC2-chloro-4-imidazol-1-yl-6-(4-methylpyrazol-1-yl)-1,3,5-triazine
SMILESCc1cnn(-c2nc(Cl)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C10H8ClN7/c1-7-4-13-18(5-7)10-15-8(11)14-9(16-10)17-3-2-12-6-17/h2-6H,1H3
InChIKeyOUIAKOPJSDJOPS-UHFFFAOYSA-N
MW261.68 g/mol
LogP1.20
Rot. Bonds2

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

2-chloro-4-imidazol-1-yl-6-(4-methylpyrazol-1-yl)-1,3,5-triazine (PubChem CID 55124917) has the molecular formula C10H8ClN7 and a molecular weight of 261.68 g/mol. Its IUPAC name is 2-chloro-4-imidazol-1-yl-6-(4-methylpyrazol-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-imidazol-1-yl-6-(4-methylpyrazol-1-yl)-1,3,5-triazine
PubChem CID55124917
Molecular FormulaC10H8ClN7
Molecular Weight261.68 g/mol
Exact Mass261.05
IUPAC Name2-chloro-4-imidazol-1-yl-6-(4-methylpyrazol-1-yl)-1,3,5-triazine
SMILESCc1cnn(-c2nc(Cl)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C10H8ClN7/c1-7-4-13-18(5-7)10-15-8(11)14-9(16-10)17-3-2-12-6-17/h2-6H,1H3
InChIKeyOUIAKOPJSDJOPS-UHFFFAOYSA-N
XLogP1.20
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-imidazol-1-yl-6-(4-methylpyrazol-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-imidazol-1-yl-6-(4-methylpyrazol-1-yl)-1,3,5-triazine (CID 55124917) is 2-chloro-4-imidazol-1-yl-6-(4-methylpyrazol-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-imidazol-1-yl-6-(4-methylpyrazol-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-imidazol-1-yl-6-(4-methylpyrazol-1-yl)-1,3,5-triazine is Cc1cnn(-c2nc(Cl)nc(-n3ccnc3)n2)c1.
What is the InChIKey of 2-chloro-4-imidazol-1-yl-6-(4-methylpyrazol-1-yl)-1,3,5-triazine?
The InChIKey is OUIAKOPJSDJOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN7/c1-7-4-13-18(5-7)10-15-8(11)14-9(16-10)17-3-2-12-6-17/h2-6H,1H3.
What are the key properties of 2-chloro-4-imidazol-1-yl-6-(4-methylpyrazol-1-yl)-1,3,5-triazine?
2-chloro-4-imidazol-1-yl-6-(4-methylpyrazol-1-yl)-1,3,5-triazine has a molecular weight of 261.68 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-imidazol-1-yl-6-(4-methylpyrazol-1-yl)-1,3,5-triazine is sourced from PubChem (CID 55124917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).