N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C15H21N5 — CID 82824393

IUPACN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCC(NC1CCN2CCCC12)c1nnc2ccccn12
InChIInChI=1S/C15H21N5/c1-11(15-18-17-14-6-2-3-9-20(14)15)16-12-7-10-19-8-4-5-13(12)19/h2-3,6,9,11-13,16H,4-5,7-8,10H2,1H3
InChIKeyNSFNSDMARDCQAA-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.62
Rot. Bonds3

About N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 82824393) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID82824393
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCC(NC1CCN2CCCC12)c1nnc2ccccn12
InChIInChI=1S/C15H21N5/c1-11(15-18-17-14-6-2-3-9-20(14)15)16-12-7-10-19-8-4-5-13(12)19/h2-3,6,9,11-13,16H,4-5,7-8,10H2,1H3
InChIKeyNSFNSDMARDCQAA-UHFFFAOYSA-N
XLogP1.62
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine
CID 43230936
2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentan-1-amine
CID 79860135
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxepan-4-amine
CID 65081528
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutan-1-amine
CID 113463274
2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
CID 79828642
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thian-3-amine
CID 62872894
N-[(1S)-1-(2-methylphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853310
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466137
(2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 51885544
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 43685626
(5R)-7-methyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 97065233
7-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 75471359

Frequently Asked Questions

What is the IUPAC name of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 82824393) is N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CC(NC1CCN2CCCC12)c1nnc2ccccn12.
What is the InChIKey of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is NSFNSDMARDCQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11(15-18-17-14-6-2-3-9-20(14)15)16-12-7-10-19-8-4-5-13(12)19/h2-3,6,9,11-13,16H,4-5,7-8,10H2,1H3.
What are the key properties of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 271.37 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 82824393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).