N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C11H15ClN4 — CID 65028368

IUPACN-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NCCC(C)Cl)n2ncnc2c1
InChIInChI=1S/C11H15ClN4/c1-8-5-10(13-4-3-9(2)12)16-11(6-8)14-7-15-16/h5-7,9,13H,3-4H2,1-2H3
InChIKeyQGOYIEURIJLLRY-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.47
Rot. Bonds4

About N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine

N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 65028368) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID65028368
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC NameN-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESCc1cc(NCCC(C)Cl)n2ncnc2c1
InChIInChI=1S/C11H15ClN4/c1-8-5-10(13-4-3-9(2)12)16-11(6-8)14-7-15-16/h5-7,9,13H,3-4H2,1-2H3
InChIKeyQGOYIEURIJLLRY-UHFFFAOYSA-N
XLogP2.47
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 65028368) is N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Cc1cc(NCCC(C)Cl)n2ncnc2c1.
What is the InChIKey of N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is QGOYIEURIJLLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4/c1-8-5-10(13-4-3-9(2)12)16-11(6-8)14-7-15-16/h5-7,9,13H,3-4H2,1-2H3.
What are the key properties of N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 238.72 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 65028368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).