5,8-dimethyl-2-[1-(1-methyl-4-phenylimidazol-2-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrazine

C20H22N6 — CID 71696708

IUPAC5,8-dimethyl-2-[1-(1-methyl-4-phenylimidazol-2-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(C(C)Cc3nc(-c4ccccc4)cn3C)nc12
InChIInChI=1S/C20H22N6/c1-13(19-23-20-15(3)21-11-14(2)26(20)24-19)10-18-22-17(12-25(18)4)16-8-6-5-7-9-16/h5-9,11-13H,10H2,1-4H3
InChIKeyRHPLHYPGTRSERD-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.49
Rot. Bonds4

About 5,8-dimethyl-2-[1-(1-methyl-4-phenylimidazol-2-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrazine

5,8-dimethyl-2-[1-(1-methyl-4-phenylimidazol-2-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 71696708) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 5,8-dimethyl-2-[1-(1-methyl-4-phenylimidazol-2-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-[1-(1-methyl-4-phenylimidazol-2-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID71696708
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name5,8-dimethyl-2-[1-(1-methyl-4-phenylimidazol-2-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCc1ncc(C)n2nc(C(C)Cc3nc(-c4ccccc4)cn3C)nc12
InChIInChI=1S/C20H22N6/c1-13(19-23-20-15(3)21-11-14(2)26(20)24-19)10-18-22-17(12-25(18)4)16-8-6-5-7-9-16/h5-9,11-13H,10H2,1-4H3
InChIKeyRHPLHYPGTRSERD-UHFFFAOYSA-N
XLogP3.49
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[1-(1-methyl-4-phenylimidazol-2-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-[1-(1-methyl-4-phenylimidazol-2-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrazine (CID 71696708) is 5,8-dimethyl-2-[1-(1-methyl-4-phenylimidazol-2-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-[1-(1-methyl-4-phenylimidazol-2-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-[1-(1-methyl-4-phenylimidazol-2-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrazine is Cc1ncc(C)n2nc(C(C)Cc3nc(-c4ccccc4)cn3C)nc12.
What is the InChIKey of 5,8-dimethyl-2-[1-(1-methyl-4-phenylimidazol-2-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is RHPLHYPGTRSERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-13(19-23-20-15(3)21-11-14(2)26(20)24-19)10-18-22-17(12-25(18)4)16-8-6-5-7-9-16/h5-9,11-13H,10H2,1-4H3.
What are the key properties of 5,8-dimethyl-2-[1-(1-methyl-4-phenylimidazol-2-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrazine?
5,8-dimethyl-2-[1-(1-methyl-4-phenylimidazol-2-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 346.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[1-(1-methyl-4-phenylimidazol-2-yl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 71696708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).