[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]azanium;chloride;hydrochloride

C11H18Cl2N4 — CID 171109541

IUPAC[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]azanium;chloride;hydrochloride
SMILESCC(C)CC([NH3+])c1nnc2ccccn12.Cl.[Cl-]
InChIInChI=1S/C11H16N4.2ClH/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;2*1H
InChIKeyIXOATZXRTUZQFO-UHFFFAOYSA-N
MW277.20 g/mol
LogP-1.52
Rot. Bonds3

About [3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]azanium;chloride;hydrochloride

[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]azanium;chloride;hydrochloride (PubChem CID 171109541) has the molecular formula C11H18Cl2N4 and a molecular weight of 277.20 g/mol. Its IUPAC name is [3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]azanium;chloride;hydrochloride.

Molecular Properties

Compound Name[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]azanium;chloride;hydrochloride
PubChem CID171109541
Molecular FormulaC11H18Cl2N4
Molecular Weight277.20 g/mol
Exact Mass276.09
IUPAC Name[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]azanium;chloride;hydrochloride
SMILESCC(C)CC([NH3+])c1nnc2ccccn12.Cl.[Cl-]
InChIInChI=1S/C11H16N4.2ClH/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;2*1H
InChIKeyIXOATZXRTUZQFO-UHFFFAOYSA-N
XLogP-1.52
TPSA57.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 5-1.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 149496307
2-amino-4-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 43703576
2-amino-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 24695884
(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
CID 51880743
(2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 51885544
3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 138507184
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 43685626
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine
CID 60720945
1-pyridin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43685630
N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 99871117
2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride
CID 119836867
(2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
CID 51885542

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]azanium;chloride;hydrochloride?
The IUPAC name of [3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]azanium;chloride;hydrochloride (CID 171109541) is [3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]azanium;chloride;hydrochloride.
What is the SMILES notation for [3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]azanium;chloride;hydrochloride?
The canonical SMILES for [3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]azanium;chloride;hydrochloride is CC(C)CC([NH3+])c1nnc2ccccn12.Cl.[Cl-].
What is the InChIKey of [3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]azanium;chloride;hydrochloride?
The InChIKey is IXOATZXRTUZQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4.2ClH/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;2*1H.
What are the key properties of [3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]azanium;chloride;hydrochloride?
[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]azanium;chloride;hydrochloride has a molecular weight of 277.20 g/mol, XLogP of -1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 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)butyl]azanium;chloride;hydrochloride is sourced from PubChem (CID 171109541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).