6-bromo-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C11H13BrN4 — CID 107143628

IUPAC6-bromo-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC1(CNc2nc3ccc(Br)cn3n2)CC1
InChIInChI=1S/C11H13BrN4/c1-11(4-5-11)7-13-10-14-9-3-2-8(12)6-16(9)15-10/h2-3,6H,4-5,7H2,1H3,(H,13,15)
InChIKeyJYZXYKIROHKSFY-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.70
Rot. Bonds3

About 6-bromo-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-bromo-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 107143628) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 6-bromo-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID107143628
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name6-bromo-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC1(CNc2nc3ccc(Br)cn3n2)CC1
InChIInChI=1S/C11H13BrN4/c1-11(4-5-11)7-13-10-14-9-3-2-8(12)6-16(9)15-10/h2-3,6H,4-5,7H2,1H3,(H,13,15)
InChIKeyJYZXYKIROHKSFY-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-bromo-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 107143628) is 6-bromo-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC1(CNc2nc3ccc(Br)cn3n2)CC1.
What is the InChIKey of 6-bromo-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is JYZXYKIROHKSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-11(4-5-11)7-13-10-14-9-3-2-8(12)6-16(9)15-10/h2-3,6H,4-5,7H2,1H3,(H,13,15).
What are the key properties of 6-bromo-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-bromo-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 281.16 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 107143628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).