5,8-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine

C18H22N6O — CID 134128203

IUPAC5,8-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC1=CN=C(C)C2N=C(CCc3nc(-c4ccc(C)o4)cn3C)NN12
InChIInChI=1S/C18H22N6O/c1-11-9-19-13(3)18-21-16(22-24(11)18)7-8-17-20-14(10-23(17)4)15-6-5-12(2)25-15/h5-6,9-10,18H,7-8H2,1-4H3,(H,21,22)
InChIKeyJMQRXIHPTHLFSO-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.80
Rot. Bonds4

About 5,8-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine

5,8-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 134128203) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 5,8-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5,8-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID134128203
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name5,8-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC1=CN=C(C)C2N=C(CCc3nc(-c4ccc(C)o4)cn3C)NN12
InChIInChI=1S/C18H22N6O/c1-11-9-19-13(3)18-21-16(22-24(11)18)7-8-17-20-14(10-23(17)4)15-6-5-12(2)25-15/h5-6,9-10,18H,7-8H2,1-4H3,(H,21,22)
InChIKeyJMQRXIHPTHLFSO-UHFFFAOYSA-N
XLogP2.80
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,8-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5,8-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine (CID 134128203) is 5,8-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5,8-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5,8-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine is CC1=CN=C(C)C2N=C(CCc3nc(-c4ccc(C)o4)cn3C)NN12.
What is the InChIKey of 5,8-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is JMQRXIHPTHLFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-11-9-19-13(3)18-21-16(22-24(11)18)7-8-17-20-14(10-23(17)4)15-6-5-12(2)25-15/h5-6,9-10,18H,7-8H2,1-4H3,(H,21,22).
What are the key properties of 5,8-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine?
5,8-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 338.42 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 134128203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).