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

C18H19N7 — CID 90958718

IUPAC7-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(C(c2ccccn2)n2ccnc2)ncn2nc(C)nc12
InChIInChI=1S/C18H19N7/c1-3-6-14-16(21-12-25-18(14)22-13(2)23-25)17(24-10-9-19-11-24)15-7-4-5-8-20-15/h4-5,7-12,17H,3,6H2,1-2H3
InChIKeyUFTZEOBGVXSWHM-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.61
Rot. Bonds5

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

7-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 90958718) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 7-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name7-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID90958718
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name7-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(C(c2ccccn2)n2ccnc2)ncn2nc(C)nc12
InChIInChI=1S/C18H19N7/c1-3-6-14-16(21-12-25-18(14)22-13(2)23-25)17(24-10-9-19-11-24)15-7-4-5-8-20-15/h4-5,7-12,17H,3,6H2,1-2H3
InChIKeyUFTZEOBGVXSWHM-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 7-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 7-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (CID 90958718) is 7-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 7-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 7-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1c(C(c2ccccn2)n2ccnc2)ncn2nc(C)nc12.
What is the InChIKey of 7-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is UFTZEOBGVXSWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-3-6-14-16(21-12-25-18(14)22-13(2)23-25)17(24-10-9-19-11-24)15-7-4-5-8-20-15/h4-5,7-12,17H,3,6H2,1-2H3.
What are the key properties of 7-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
7-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine 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 7-[imidazol-1-yl(pyridin-2-yl)methyl]-2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 90958718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).