6-[imidazol-1-yl(pyridin-2-yl)methyl]-3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrazine

C18H19N7 — CID 90961981

IUPAC6-[imidazol-1-yl(pyridin-2-yl)methyl]-3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCc1c(C(c2ccccn2)n2ccnc2)ncc2nnc(C)n12
InChIInChI=1S/C18H19N7/c1-3-6-15-17(21-11-16-23-22-13(2)25(15)16)18(24-10-9-19-12-24)14-7-4-5-8-20-14/h4-5,7-12,18H,3,6H2,1-2H3
InChIKeyXHKRASCOHQHKIR-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.61
Rot. Bonds5

About 6-[imidazol-1-yl(pyridin-2-yl)methyl]-3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrazine

6-[imidazol-1-yl(pyridin-2-yl)methyl]-3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 90961981) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 6-[imidazol-1-yl(pyridin-2-yl)methyl]-3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[imidazol-1-yl(pyridin-2-yl)methyl]-3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID90961981
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name6-[imidazol-1-yl(pyridin-2-yl)methyl]-3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCc1c(C(c2ccccn2)n2ccnc2)ncc2nnc(C)n12
InChIInChI=1S/C18H19N7/c1-3-6-15-17(21-11-16-23-22-13(2)25(15)16)18(24-10-9-19-12-24)14-7-4-5-8-20-14/h4-5,7-12,18H,3,6H2,1-2H3
InChIKeyXHKRASCOHQHKIR-UHFFFAOYSA-N
XLogP2.61
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[imidazol-1-yl(pyridin-2-yl)methyl]-3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[imidazol-1-yl(pyridin-2-yl)methyl]-3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrazine (CID 90961981) is 6-[imidazol-1-yl(pyridin-2-yl)methyl]-3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[imidazol-1-yl(pyridin-2-yl)methyl]-3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[imidazol-1-yl(pyridin-2-yl)methyl]-3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrazine is CCCc1c(C(c2ccccn2)n2ccnc2)ncc2nnc(C)n12.
What is the InChIKey of 6-[imidazol-1-yl(pyridin-2-yl)methyl]-3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is XHKRASCOHQHKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-3-6-15-17(21-11-16-23-22-13(2)25(15)16)18(24-10-9-19-12-24)14-7-4-5-8-20-14/h4-5,7-12,18H,3,6H2,1-2H3.
What are the key properties of 6-[imidazol-1-yl(pyridin-2-yl)methyl]-3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrazine?
6-[imidazol-1-yl(pyridin-2-yl)methyl]-3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 333.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[imidazol-1-yl(pyridin-2-yl)methyl]-3-methyl-5-propyl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 90961981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).