2-bromo-7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidine

C9H11BrN4 — CID 70655304

IUPAC2-bromo-7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1nc(C)cc2nc(Br)nn12
InChIInChI=1S/C9H11BrN4/c1-3-4-7-11-6(2)5-8-12-9(10)13-14(7)8/h5H,3-4H2,1-2H3
InChIKeyZZZWMESFEXDECF-UHFFFAOYSA-N
MW255.12 g/mol
LogP2.15
Rot. Bonds2

About 2-bromo-7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidine

2-bromo-7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 70655304) has the molecular formula C9H11BrN4 and a molecular weight of 255.12 g/mol. Its IUPAC name is 2-bromo-7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name2-bromo-7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID70655304
Molecular FormulaC9H11BrN4
Molecular Weight255.12 g/mol
Exact Mass254.02
IUPAC Name2-bromo-7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCCCc1nc(C)cc2nc(Br)nn12
InChIInChI=1S/C9H11BrN4/c1-3-4-7-11-6(2)5-8-12-9(10)13-14(7)8/h5H,3-4H2,1-2H3
InChIKeyZZZWMESFEXDECF-UHFFFAOYSA-N
XLogP2.15
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 2-bromo-7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidine (CID 70655304) is 2-bromo-7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 2-bromo-7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 2-bromo-7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is CCCc1nc(C)cc2nc(Br)nn12.
What is the InChIKey of 2-bromo-7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is ZZZWMESFEXDECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4/c1-3-4-7-11-6(2)5-8-12-9(10)13-14(7)8/h5H,3-4H2,1-2H3.
What are the key properties of 2-bromo-7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidine?
2-bromo-7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 255.12 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-methyl-5-propyl-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 70655304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).