8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine

C17H17N7 — CID 11415920

IUPAC8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2ccccn2)ncn2ncnc12
InChIInChI=1S/C17H17N7/c1-2-5-13-15(21-12-24-16(13)20-11-22-24)10-23-9-8-19-17(23)14-6-3-4-7-18-14/h3-4,6-9,11-12H,2,5,10H2,1H3
InChIKeyONPLIARZOYLHDB-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.38
Rot. Bonds5

About 8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine

8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11415920) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID11415920
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2ccccn2)ncn2ncnc12
InChIInChI=1S/C17H17N7/c1-2-5-13-15(21-12-24-16(13)20-11-22-24)10-23-9-8-19-17(23)14-6-3-4-7-18-14/h3-4,6-9,11-12H,2,5,10H2,1H3
InChIKeyONPLIARZOYLHDB-UHFFFAOYSA-N
XLogP2.38
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11415920) is 8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1c(Cn2ccnc2-c2ccccn2)ncn2ncnc12.
What is the InChIKey of 8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is ONPLIARZOYLHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-2-5-13-15(21-12-24-16(13)20-11-22-24)10-23-9-8-19-17(23)14-6-3-4-7-18-14/h3-4,6-9,11-12H,2,5,10H2,1H3.
What are the key properties of 8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 319.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propyl-7-[(2-pyridin-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 11415920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).