2-bromo-4-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine

C11H11BrN4 — CID 134400693

IUPAC2-bromo-4-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESBrc1nc2n(n1)CCCN2c1ccccc1
InChIInChI=1S/C11H11BrN4/c12-10-13-11-15(7-4-8-16(11)14-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyAFFFNJBOOJETCW-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.58
Rot. Bonds1

About 2-bromo-4-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine

2-bromo-4-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 134400693) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-bromo-4-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-bromo-4-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID134400693
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name2-bromo-4-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESBrc1nc2n(n1)CCCN2c1ccccc1
InChIInChI=1S/C11H11BrN4/c12-10-13-11-15(7-4-8-16(11)14-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyAFFFNJBOOJETCW-UHFFFAOYSA-N
XLogP2.58
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-bromo-4-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine (CID 134400693) is 2-bromo-4-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-bromo-4-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-bromo-4-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine is Brc1nc2n(n1)CCCN2c1ccccc1.
What is the InChIKey of 2-bromo-4-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is AFFFNJBOOJETCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c12-10-13-11-15(7-4-8-16(11)14-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2.
What are the key properties of 2-bromo-4-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine?
2-bromo-4-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 279.14 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 134400693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).