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

C11H17ClN4 — CID 47000865

IUPAC3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine;hydrochloride
SMILESCC(C)CC(N)c1nnc2ccccn12.Cl
InChIInChI=1S/C11H16N4.ClH/c1-8(2)7-9(12)11-14-13-10-5-3-4-6-15(10)11;/h3-6,8-9H,7,12H2,1-2H3;1H
InChIKeyMTGSPZVTISTRAR-UHFFFAOYSA-N
MW240.74 g/mol
LogP2.20
Rot. Bonds3

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

3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine;hydrochloride (PubChem CID 47000865) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine;hydrochloride
PubChem CID47000865
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine;hydrochloride
SMILESCC(C)CC(N)c1nnc2ccccn12.Cl
InChIInChI=1S/C11H16N4.ClH/c1-8(2)7-9(12)11-14-13-10-5-3-4-6-15(10)11;/h3-6,8-9H,7,12H2,1-2H3;1H
InChIKeyMTGSPZVTISTRAR-UHFFFAOYSA-N
XLogP2.20
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine;hydrochloride?
The IUPAC name of 3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine;hydrochloride (CID 47000865) is 3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine;hydrochloride.
What is the SMILES notation for 3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine;hydrochloride?
The canonical SMILES for 3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine;hydrochloride is CC(C)CC(N)c1nnc2ccccn12.Cl.
What is the InChIKey of 3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine;hydrochloride?
The InChIKey is MTGSPZVTISTRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4.ClH/c1-8(2)7-9(12)11-14-13-10-5-3-4-6-15(10)11;/h3-6,8-9H,7,12H2,1-2H3;1H.
What are the key properties of 3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine;hydrochloride?
3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine;hydrochloride has a molecular weight of 240.74 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine;hydrochloride is sourced from PubChem (CID 47000865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).