5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C21H22N6 — CID 66636266

IUPAC5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C(C)C)n2nc(C=Cc3nc(-c4ccccc4)cn3C)nc2n1
InChIInChI=1S/C21H22N6/c1-14(2)18-12-15(3)22-21-24-19(25-27(18)21)10-11-20-23-17(13-26(20)4)16-8-6-5-7-9-16/h5-14H,1-4H3
InChIKeyRJHVYTYYVGGOFT-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.13
Rot. Bonds4

About 5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 66636266) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID66636266
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C(C)C)n2nc(C=Cc3nc(-c4ccccc4)cn3C)nc2n1
InChIInChI=1S/C21H22N6/c1-14(2)18-12-15(3)22-21-24-19(25-27(18)21)10-11-20-23-17(13-26(20)4)16-8-6-5-7-9-16/h5-14H,1-4H3
InChIKeyRJHVYTYYVGGOFT-UHFFFAOYSA-N
XLogP4.13
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 66636266) is 5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C(C)C)n2nc(C=Cc3nc(-c4ccccc4)cn3C)nc2n1.
What is the InChIKey of 5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RJHVYTYYVGGOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-14(2)18-12-15(3)22-21-24-19(25-27(18)21)10-11-20-23-17(13-26(20)4)16-8-6-5-7-9-16/h5-14H,1-4H3.
What are the key properties of 5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 358.45 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 66636266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).