N-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]butan-2-amine

C11H15BrN4 — CID 65347942

IUPACN-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1nnc2ccc(Br)cn12
InChIInChI=1S/C11H15BrN4/c1-3-8(2)13-6-11-15-14-10-5-4-9(12)7-16(10)11/h4-5,7-8,13H,3,6H2,1-2H3
InChIKeyDWBYZAHVJNAPCK-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.38
Rot. Bonds4

About N-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]butan-2-amine

N-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]butan-2-amine (PubChem CID 65347942) has the molecular formula C11H15BrN4 and a molecular weight of 283.17 g/mol. Its IUPAC name is N-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]butan-2-amine
PubChem CID65347942
Molecular FormulaC11H15BrN4
Molecular Weight283.17 g/mol
Exact Mass282.05
IUPAC NameN-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1nnc2ccc(Br)cn12
InChIInChI=1S/C11H15BrN4/c1-3-8(2)13-6-11-15-14-10-5-4-9(12)7-16(10)11/h4-5,7-8,13H,3,6H2,1-2H3
InChIKeyDWBYZAHVJNAPCK-UHFFFAOYSA-N
XLogP2.38
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Amino-(1,2,4)triazolo(4,3-a)pyridine
CID 253286
2-Methyl-(1,2,4)triazolo(1,5-a)pyridin-8-amine
CID 590472
6-Bromo-3-methylimidazo(1,2-a)pyridine
CID 23537418
Izuforant
CID 71547284
6-Bromoimidazo[1,2-a]pyridin-2-amine
CID 44119296
6-Bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 611191
[1,2,4]Triazolo[1,5-a]pyridin-6-amine
CID 272200
[1,2,4]Triazolo[1,5-a]pyridin-8-amine
CID 272201
[1,2,4]Triazolo[4,3-a]pyridin-8-amine
CID 272202
2-Methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 590473
6-bromo-N-tert-butyl-2-methyl-3-imidazo[1,2-a]pyridinamine
CID 650748
6-Bromo-N-cyclopentyl-2-isopropylimidazo[1,2-A]pyridin-3-amine
CID 1154254

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]butan-2-amine?
The IUPAC name of N-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]butan-2-amine (CID 65347942) is N-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]butan-2-amine is CCC(C)NCc1nnc2ccc(Br)cn12.
What is the InChIKey of N-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]butan-2-amine?
The InChIKey is DWBYZAHVJNAPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4/c1-3-8(2)13-6-11-15-14-10-5-4-9(12)7-16(10)11/h4-5,7-8,13H,3,6H2,1-2H3.
What are the key properties of N-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]butan-2-amine?
N-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]butan-2-amine has a molecular weight of 283.17 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]butan-2-amine is sourced from PubChem (CID 65347942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).