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

C12H12ClN7 — CID 62865957

IUPAC2-chloro-4-imidazol-1-yl-6-(3-propan-2-ylpyrazol-1-yl)-1,3,5-triazine
SMILESCC(C)c1ccn(-c2nc(Cl)nc(-n3ccnc3)n2)n1
InChIInChI=1S/C12H12ClN7/c1-8(2)9-3-5-20(18-9)12-16-10(13)15-11(17-12)19-6-4-14-7-19/h3-8H,1-2H3
InChIKeyVPQBCHXWMFTQTI-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.02
Rot. Bonds3

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

2-chloro-4-imidazol-1-yl-6-(3-propan-2-ylpyrazol-1-yl)-1,3,5-triazine (PubChem CID 62865957) has the molecular formula C12H12ClN7 and a molecular weight of 289.73 g/mol. Its IUPAC name is 2-chloro-4-imidazol-1-yl-6-(3-propan-2-ylpyrazol-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-imidazol-1-yl-6-(3-propan-2-ylpyrazol-1-yl)-1,3,5-triazine
PubChem CID62865957
Molecular FormulaC12H12ClN7
Molecular Weight289.73 g/mol
Exact Mass289.08
IUPAC Name2-chloro-4-imidazol-1-yl-6-(3-propan-2-ylpyrazol-1-yl)-1,3,5-triazine
SMILESCC(C)c1ccn(-c2nc(Cl)nc(-n3ccnc3)n2)n1
InChIInChI=1S/C12H12ClN7/c1-8(2)9-3-5-20(18-9)12-16-10(13)15-11(17-12)19-6-4-14-7-19/h3-8H,1-2H3
InChIKeyVPQBCHXWMFTQTI-UHFFFAOYSA-N
XLogP2.02
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.02
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-(3-propan-2-ylpyrazol-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-imidazol-1-yl-6-(3-propan-2-ylpyrazol-1-yl)-1,3,5-triazine (CID 62865957) is 2-chloro-4-imidazol-1-yl-6-(3-propan-2-ylpyrazol-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-imidazol-1-yl-6-(3-propan-2-ylpyrazol-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-imidazol-1-yl-6-(3-propan-2-ylpyrazol-1-yl)-1,3,5-triazine is CC(C)c1ccn(-c2nc(Cl)nc(-n3ccnc3)n2)n1.
What is the InChIKey of 2-chloro-4-imidazol-1-yl-6-(3-propan-2-ylpyrazol-1-yl)-1,3,5-triazine?
The InChIKey is VPQBCHXWMFTQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN7/c1-8(2)9-3-5-20(18-9)12-16-10(13)15-11(17-12)19-6-4-14-7-19/h3-8H,1-2H3.
What are the key properties of 2-chloro-4-imidazol-1-yl-6-(3-propan-2-ylpyrazol-1-yl)-1,3,5-triazine?
2-chloro-4-imidazol-1-yl-6-(3-propan-2-ylpyrazol-1-yl)-1,3,5-triazine has a molecular weight of 289.73 g/mol, XLogP of 2.02, 3 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-(3-propan-2-ylpyrazol-1-yl)-1,3,5-triazine is sourced from PubChem (CID 62865957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).