7-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine

C18H19N7O — CID 11256579

IUPAC7-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2cccc(OC)n2)ncn2ncnc12
InChIInChI=1S/C18H19N7O/c1-3-5-13-15(21-12-25-17(13)20-11-22-25)10-24-9-8-19-18(24)14-6-4-7-16(23-14)26-2/h4,6-9,11-12H,3,5,10H2,1-2H3
InChIKeyGLSCYLYIWLGOCR-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.39
Rot. Bonds6

About 7-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine

7-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11256579) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 7-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID11256579
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name7-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2cccc(OC)n2)ncn2ncnc12
InChIInChI=1S/C18H19N7O/c1-3-5-13-15(21-12-25-17(13)20-11-22-25)10-24-9-8-19-18(24)14-6-4-7-16(23-14)26-2/h4,6-9,11-12H,3,5,10H2,1-2H3
InChIKeyGLSCYLYIWLGOCR-UHFFFAOYSA-N
XLogP2.39
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 7-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11256579) is 7-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 7-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 7-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1c(Cn2ccnc2-c2cccc(OC)n2)ncn2ncnc12.
What is the InChIKey of 7-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is GLSCYLYIWLGOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-3-5-13-15(21-12-25-17(13)20-11-22-25)10-24-9-8-19-18(24)14-6-4-7-16(23-14)26-2/h4,6-9,11-12H,3,5,10H2,1-2H3.
What are the key properties of 7-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
7-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 349.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(6-methoxy-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 11256579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).