1-[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine

C12H15BrN4 — CID 116990056

IUPAC1-[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1(c2nc3cc(Br)ccn3n2)CCC1
InChIInChI=1S/C12H15BrN4/c1-14-8-12(4-2-5-12)11-15-10-7-9(13)3-6-17(10)16-11/h3,6-7,14H,2,4-5,8H2,1H3
InChIKeyFUSZWXVLSSMMDR-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.13
Rot. Bonds3

About 1-[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine

1-[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine (PubChem CID 116990056) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine
PubChem CID116990056
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name1-[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine
SMILESCNCC1(c2nc3cc(Br)ccn3n2)CCC1
InChIInChI=1S/C12H15BrN4/c1-14-8-12(4-2-5-12)11-15-10-7-9(13)3-6-17(10)16-11/h3,6-7,14H,2,4-5,8H2,1H3
InChIKeyFUSZWXVLSSMMDR-UHFFFAOYSA-N
XLogP2.13
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine (CID 116990056) is 1-[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine is CNCC1(c2nc3cc(Br)ccn3n2)CCC1.
What is the InChIKey of 1-[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine?
The InChIKey is FUSZWXVLSSMMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-14-8-12(4-2-5-12)11-15-10-7-9(13)3-6-17(10)16-11/h3,6-7,14H,2,4-5,8H2,1H3.
What are the key properties of 1-[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine?
1-[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine has a molecular weight of 295.18 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 116990056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).