5-bromo-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide

C13H12BrN5O2 — CID 23602092

IUPAC5-bromo-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide
SMILESCc1cc(C)n2nc(CNC(=O)c3ccc(Br)o3)nc2n1
InChIInChI=1S/C13H12BrN5O2/c1-7-5-8(2)19-13(16-7)17-11(18-19)6-15-12(20)9-3-4-10(14)21-9/h3-5H,6H2,1-2H3,(H,15,20)
InChIKeyWOSBKBHILZVWNS-UHFFFAOYSA-N
MW350.18 g/mol
LogP2.03
Rot. Bonds3

About 5-bromo-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide

5-bromo-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide (PubChem CID 23602092) has the molecular formula C13H12BrN5O2 and a molecular weight of 350.18 g/mol. Its IUPAC name is 5-bromo-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide
PubChem CID23602092
Molecular FormulaC13H12BrN5O2
Molecular Weight350.18 g/mol
Exact Mass349.02
IUPAC Name5-bromo-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide
SMILESCc1cc(C)n2nc(CNC(=O)c3ccc(Br)o3)nc2n1
InChIInChI=1S/C13H12BrN5O2/c1-7-5-8(2)19-13(16-7)17-11(18-19)6-15-12(20)9-3-4-10(14)21-9/h3-5H,6H2,1-2H3,(H,15,20)
InChIKeyWOSBKBHILZVWNS-UHFFFAOYSA-N
XLogP2.03
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide (CID 23602092) is 5-bromo-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide is Cc1cc(C)n2nc(CNC(=O)c3ccc(Br)o3)nc2n1.
What is the InChIKey of 5-bromo-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide?
The InChIKey is WOSBKBHILZVWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5O2/c1-7-5-8(2)19-13(16-7)17-11(18-19)6-15-12(20)9-3-4-10(14)21-9/h3-5H,6H2,1-2H3,(H,15,20).
What are the key properties of 5-bromo-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide?
5-bromo-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide has a molecular weight of 350.18 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 23602092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).