1-[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]-N-methylmethanamine

C11H13BrN4 — CID 116989952

IUPAC1-[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2nc3ccc(Br)cn3n2)CC1
InChIInChI=1S/C11H13BrN4/c1-13-7-11(4-5-11)10-14-9-3-2-8(12)6-16(9)15-10/h2-3,6,13H,4-5,7H2,1H3
InChIKeyAXUCYCGSCTWCJI-UHFFFAOYSA-N
MW281.16 g/mol
LogP1.74
Rot. Bonds3

About 1-[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]-N-methylmethanamine

1-[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]-N-methylmethanamine (PubChem CID 116989952) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 1-[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]-N-methylmethanamine
PubChem CID116989952
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name1-[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2nc3ccc(Br)cn3n2)CC1
InChIInChI=1S/C11H13BrN4/c1-13-7-11(4-5-11)10-14-9-3-2-8(12)6-16(9)15-10/h2-3,6,13H,4-5,7H2,1H3
InChIKeyAXUCYCGSCTWCJI-UHFFFAOYSA-N
XLogP1.74
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]-N-methylmethanamine (CID 116989952) is 1-[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]-N-methylmethanamine is CNCC1(c2nc3ccc(Br)cn3n2)CC1.
What is the InChIKey of 1-[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]-N-methylmethanamine?
The InChIKey is AXUCYCGSCTWCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-13-7-11(4-5-11)10-14-9-3-2-8(12)6-16(9)15-10/h2-3,6,13H,4-5,7H2,1H3.
What are the key properties of 1-[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]-N-methylmethanamine?
1-[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]-N-methylmethanamine has a molecular weight of 281.16 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 116989952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).