N-(1-pyridin-3-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine

C17H21N5 — CID 75482952

IUPACN-(1-pyridin-3-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
SMILESCCCC(NC(C)c1cccnc1)c1nnc2ccccn12
InChIInChI=1S/C17H21N5/c1-3-7-15(19-13(2)14-8-6-10-18-12-14)17-21-20-16-9-4-5-11-22(16)17/h4-6,8-13,15,19H,3,7H2,1-2H3
InChIKeySDAKEOVIRMCOAD-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.32
Rot. Bonds6

About N-(1-pyridin-3-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine

N-(1-pyridin-3-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine (PubChem CID 75482952) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(1-pyridin-3-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-(1-pyridin-3-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
PubChem CID75482952
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC NameN-(1-pyridin-3-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
SMILESCCCC(NC(C)c1cccnc1)c1nnc2ccccn12
InChIInChI=1S/C17H21N5/c1-3-7-15(19-13(2)14-8-6-10-18-12-14)17-21-20-16-9-4-5-11-22(16)17/h4-6,8-13,15,19H,3,7H2,1-2H3
InChIKeySDAKEOVIRMCOAD-UHFFFAOYSA-N
XLogP3.32
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-pyridin-3-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine with MolForge

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Related Compounds

1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butan-1-amine
CID 81406901
1-pyridin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43685630
1-ethyl-3-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]urea
CID 95317728
N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 23474179
(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine
CID 51880743
3-hexan-3-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 138507184
3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]butanamide
CID 51103792
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
CID 81407378
N-(1-pyridin-3-ylethyl)heptan-2-amine
CID 43203632
(2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 51885544

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine?
The IUPAC name of N-(1-pyridin-3-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine (CID 75482952) is N-(1-pyridin-3-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine.
What is the SMILES notation for N-(1-pyridin-3-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine?
The canonical SMILES for N-(1-pyridin-3-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine is CCCC(NC(C)c1cccnc1)c1nnc2ccccn12.
What is the InChIKey of N-(1-pyridin-3-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine?
The InChIKey is SDAKEOVIRMCOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-3-7-15(19-13(2)14-8-6-10-18-12-14)17-21-20-16-9-4-5-11-22(16)17/h4-6,8-13,15,19H,3,7H2,1-2H3.
What are the key properties of N-(1-pyridin-3-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine?
N-(1-pyridin-3-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-amine is sourced from PubChem (CID 75482952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).