2-methyl-5-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]pyrazine

C13H16N4O — CID 95558457

IUPAC2-methyl-5-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]pyrazine
SMILESCc1cnc(Cn2ccnc2[C@H]2CCOC2)cn1
InChIInChI=1S/C13H16N4O/c1-10-6-16-12(7-15-10)8-17-4-3-14-13(17)11-2-5-18-9-11/h3-4,6-7,11H,2,5,8-9H2,1H3/t11-/m0/s1
InChIKeySORHEPVANOYVKK-NSHDSACASA-N
MW244.30 g/mol
LogP1.53
Rot. Bonds3

About 2-methyl-5-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]pyrazine

2-methyl-5-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]pyrazine (PubChem CID 95558457) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-methyl-5-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-methyl-5-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]pyrazine
PubChem CID95558457
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-methyl-5-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]pyrazine
SMILESCc1cnc(Cn2ccnc2[C@H]2CCOC2)cn1
InChIInChI=1S/C13H16N4O/c1-10-6-16-12(7-15-10)8-17-4-3-14-13(17)11-2-5-18-9-11/h3-4,6-7,11H,2,5,8-9H2,1H3/t11-/m0/s1
InChIKeySORHEPVANOYVKK-NSHDSACASA-N
XLogP1.53
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]pyrazine?
The IUPAC name of 2-methyl-5-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]pyrazine (CID 95558457) is 2-methyl-5-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-methyl-5-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]pyrazine?
The canonical SMILES for 2-methyl-5-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]pyrazine is Cc1cnc(Cn2ccnc2[C@H]2CCOC2)cn1.
What is the InChIKey of 2-methyl-5-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]pyrazine?
The InChIKey is SORHEPVANOYVKK-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-6-16-12(7-15-10)8-17-4-3-14-13(17)11-2-5-18-9-11/h3-4,6-7,11H,2,5,8-9H2,1H3/t11-/m0/s1.
What are the key properties of 2-methyl-5-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]pyrazine?
2-methyl-5-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]pyrazine has a molecular weight of 244.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[2-[(3R)-oxolan-3-yl]imidazol-1-yl]methyl]pyrazine is sourced from PubChem (CID 95558457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).