N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride

C13H19Cl2N5O — CID 119836866

IUPACN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCC(NC(=O)C1CCNC1)c1nnc2ccccn12.Cl.Cl
InChIInChI=1S/C13H17N5O.2ClH/c1-9(15-13(19)10-5-6-14-8-10)12-17-16-11-4-2-3-7-18(11)12;;/h2-4,7,9-10,14H,5-6,8H2,1H3,(H,15,19);2*1H
InChIKeyZRDGXWHMKDLJFQ-UHFFFAOYSA-N
MW332.24 g/mol
LogP1.36
Rot. Bonds3

About N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride

N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119836866) has the molecular formula C13H19Cl2N5O and a molecular weight of 332.24 g/mol. Its IUPAC name is N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119836866
Molecular FormulaC13H19Cl2N5O
Molecular Weight332.24 g/mol
Exact Mass331.10
IUPAC NameN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCC(NC(=O)C1CCNC1)c1nnc2ccccn12.Cl.Cl
InChIInChI=1S/C13H17N5O.2ClH/c1-9(15-13(19)10-5-6-14-8-10)12-17-16-11-4-2-3-7-18(11)12;;/h2-4,7,9-10,14H,5-6,8H2,1H3,(H,15,19);2*1H
InChIKeyZRDGXWHMKDLJFQ-UHFFFAOYSA-N
XLogP1.36
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119836858
2-piperidin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide;dihydrochloride
CID 119836844
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 102777774
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiomorpholine-3-carboxamide
CID 82905701
2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60940994
2-morpholin-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 66435338
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 119890737
5-phenyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazolidine-3-carboxamide
CID 133141911
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 63007072
2-(methylamino)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 55097089
2-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyridine-4-carboxamide
CID 103762817

Frequently Asked Questions

What is the IUPAC name of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119836866) is N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride is CC(NC(=O)C1CCNC1)c1nnc2ccccn12.Cl.Cl.
What is the InChIKey of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is ZRDGXWHMKDLJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O.2ClH/c1-9(15-13(19)10-5-6-14-8-10)12-17-16-11-4-2-3-7-18(11)12;;/h2-4,7,9-10,14H,5-6,8H2,1H3,(H,15,19);2*1H.
What are the key properties of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 332.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 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]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119836866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).