8-bromo-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine

C15H19BrN8 — CID 165415148

IUPAC8-bromo-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1ncc(Br)c2nc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C15H19BrN8/c1-10-17-9-11(16)14-18-12(20-24(10)14)5-6-13-19-15(21-22(13)2)23-7-3-4-8-23/h9H,3-8H2,1-2H3
InChIKeyGPLGFBRNSTUTAI-UHFFFAOYSA-N
MW391.28 g/mol
LogP1.71
Rot. Bonds4

About 8-bromo-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine

8-bromo-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 165415148) has the molecular formula C15H19BrN8 and a molecular weight of 391.28 g/mol. Its IUPAC name is 8-bromo-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name8-bromo-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID165415148
Molecular FormulaC15H19BrN8
Molecular Weight391.28 g/mol
Exact Mass390.09
IUPAC Name8-bromo-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1ncc(Br)c2nc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C15H19BrN8/c1-10-17-9-11(16)14-18-12(20-24(10)14)5-6-13-19-15(21-22(13)2)23-7-3-4-8-23/h9H,3-8H2,1-2H3
InChIKeyGPLGFBRNSTUTAI-UHFFFAOYSA-N
XLogP1.71
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-bromo-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 8-bromo-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine (CID 165415148) is 8-bromo-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 8-bromo-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 8-bromo-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine is Cc1ncc(Br)c2nc(CCc3nc(N4CCCC4)nn3C)nn12.
What is the InChIKey of 8-bromo-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is GPLGFBRNSTUTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN8/c1-10-17-9-11(16)14-18-12(20-24(10)14)5-6-13-19-15(21-22(13)2)23-7-3-4-8-23/h9H,3-8H2,1-2H3.
What are the key properties of 8-bromo-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
8-bromo-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 391.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 165415148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).