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

C16H16N6S — CID 11771684

IUPAC8-propyl-7-[(2-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2cccs2)ncn2ncnc12
InChIInChI=1S/C16H16N6S/c1-2-4-12-13(19-11-22-15(12)18-10-20-22)9-21-7-6-17-16(21)14-5-3-8-23-14/h3,5-8,10-11H,2,4,9H2,1H3
InChIKeyBJMVAFKNUUKUGJ-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.05
Rot. Bonds5

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

8-propyl-7-[(2-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11771684) has the molecular formula C16H16N6S and a molecular weight of 324.41 g/mol. Its IUPAC name is 8-propyl-7-[(2-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name8-propyl-7-[(2-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID11771684
Molecular FormulaC16H16N6S
Molecular Weight324.41 g/mol
Exact Mass324.12
IUPAC Name8-propyl-7-[(2-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1c(Cn2ccnc2-c2cccs2)ncn2ncnc12
InChIInChI=1S/C16H16N6S/c1-2-4-12-13(19-11-22-15(12)18-10-20-22)9-21-7-6-17-16(21)14-5-3-8-23-14/h3,5-8,10-11H,2,4,9H2,1H3
InChIKeyBJMVAFKNUUKUGJ-UHFFFAOYSA-N
XLogP3.05
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.05
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-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 8-propyl-7-[(2-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11771684) is 8-propyl-7-[(2-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 8-propyl-7-[(2-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 8-propyl-7-[(2-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1c(Cn2ccnc2-c2cccs2)ncn2ncnc12.
What is the InChIKey of 8-propyl-7-[(2-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is BJMVAFKNUUKUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6S/c1-2-4-12-13(19-11-22-15(12)18-10-20-22)9-21-7-6-17-16(21)14-5-3-8-23-14/h3,5-8,10-11H,2,4,9H2,1H3.
What are the key properties of 8-propyl-7-[(2-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
8-propyl-7-[(2-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 324.41 g/mol, XLogP of 3.05, 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-thiophen-2-ylimidazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 11771684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).