5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride

C11H17ClN4 — CID 56723920

IUPAC5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride
SMILESCl.NCCCCCc1nnc2ccccn12
InChIInChI=1S/C11H16N4.ClH/c12-8-4-1-2-6-10-13-14-11-7-3-5-9-15(10)11;/h3,5,7,9H,1-2,4,6,8,12H2;1H
InChIKeyHUOMSKNYEVQJSR-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.82
Rot. Bonds5

About 5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride

5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride (PubChem CID 56723920) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride
PubChem CID56723920
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride
SMILESCl.NCCCCCc1nnc2ccccn12
InChIInChI=1S/C11H16N4.ClH/c12-8-4-1-2-6-10-13-14-11-7-3-5-9-15(10)11;/h3,5,7,9H,1-2,4,6,8,12H2;1H
InChIKeyHUOMSKNYEVQJSR-UHFFFAOYSA-N
XLogP1.82
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)hexan-1-amine
CID 43479092
2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 21265826
5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine
CID 82058709
3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]aniline
CID 78962030
N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 125432939
1-propan-2-yl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111802968
1-tert-butyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111803058
1-cyclopropyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111465978
3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine
CID 68903381
3-amino-2-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 106112421
1-prop-2-enyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 136683172
2-methyl-1-nonyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111767825

Frequently Asked Questions

What is the IUPAC name of 5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride?
The IUPAC name of 5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride (CID 56723920) is 5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride.
What is the SMILES notation for 5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride?
The canonical SMILES for 5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride is Cl.NCCCCCc1nnc2ccccn12.
What is the InChIKey of 5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride?
The InChIKey is HUOMSKNYEVQJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4.ClH/c12-8-4-1-2-6-10-13-14-11-7-3-5-9-15(10)11;/h3,5,7,9H,1-2,4,6,8,12H2;1H.
What are the key properties of 5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride?
5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride has a molecular weight of 240.74 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 56723920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).