N-[(5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]cyclopropanamine

C10H11BrN4 — CID 117256932

IUPACN-[(5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]cyclopropanamine
SMILESBrc1cccc2nnc(CNC3CC3)n12
InChIInChI=1S/C10H11BrN4/c11-8-2-1-3-9-13-14-10(15(8)9)6-12-7-4-5-7/h1-3,7,12H,4-6H2
InChIKeySPPPLEMANPQJHP-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.74
Rot. Bonds3

About N-[(5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]cyclopropanamine

N-[(5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]cyclopropanamine (PubChem CID 117256932) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is N-[(5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]cyclopropanamine
PubChem CID117256932
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC NameN-[(5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]cyclopropanamine
SMILESBrc1cccc2nnc(CNC3CC3)n12
InChIInChI=1S/C10H11BrN4/c11-8-2-1-3-9-13-14-10(15(8)9)6-12-7-4-5-7/h1-3,7,12H,4-6H2
InChIKeySPPPLEMANPQJHP-UHFFFAOYSA-N
XLogP1.74
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine
CID 103294067
5-bromo-3-(2-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117141228
N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopropanamine
CID 60837241
N-[[1-(naphthalen-1-ylmethyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62762574
N-[[2-(2-bromophenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 107447528
N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62222363
N-[[1-[(3-chlorophenyl)methyl]tetrazol-5-yl]methyl]cyclopropanamine
CID 62735968
methyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117257174
N-[[1-(3-bromo-4-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 114262381
N-[[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 107617080
N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]cyclopropanamine
CID 116989478
N-[(1-phenyltetrazol-5-yl)methyl]thian-4-amine
CID 115595882

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]cyclopropanamine (CID 117256932) is N-[(5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]cyclopropanamine is Brc1cccc2nnc(CNC3CC3)n12.
What is the InChIKey of N-[(5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]cyclopropanamine?
The InChIKey is SPPPLEMANPQJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c11-8-2-1-3-9-13-14-10(15(8)9)6-12-7-4-5-7/h1-3,7,12H,4-6H2.
What are the key properties of N-[(5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]cyclopropanamine?
N-[(5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]cyclopropanamine has a molecular weight of 267.13 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 N-[(5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 117256932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).