3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride

C13H19Cl2N5O — CID 119833088

IUPAC3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)NCc2nnc3ccccn23)C1
InChIInChI=1S/C13H17N5O.2ClH/c14-10-5-4-9(7-10)13(19)15-8-12-17-16-11-3-1-2-6-18(11)12;;/h1-3,6,9-10H,4-5,7-8,14H2,(H,15,19);2*1H
InChIKeyFMQOEVRBPYVVGF-UHFFFAOYSA-N
MW332.24 g/mol
LogP1.32
Rot. Bonds3

About 3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119833088) has the molecular formula C13H19Cl2N5O and a molecular weight of 332.24 g/mol. Its IUPAC name is 3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119833088
Molecular FormulaC13H19Cl2N5O
Molecular Weight332.24 g/mol
Exact Mass331.10
IUPAC Name3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)NCc2nnc3ccccn23)C1
InChIInChI=1S/C13H17N5O.2ClH/c14-10-5-4-9(7-10)13(19)15-8-12-17-16-11-3-1-2-6-18(11)12;;/h1-3,6,9-10H,4-5,7-8,14H2,(H,15,19);2*1H
InChIKeyFMQOEVRBPYVVGF-UHFFFAOYSA-N
XLogP1.32
TPSA85.31 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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,3R,4R)-4-amino-3-propoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
CID 163334574
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
cis-(1S,2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93365838
2-(4-aminopiperidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 79323405
(1'S,5'R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide
CID 26009015
(2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
CID 119833084
2-cyclohexyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 39761250
cis-(1R,3S)-3-amino-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 133127188
cis-(1S,2R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 94035247
N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]cyclopropanecarboxamide
CID 91947438
2-amino-2-cyclopropyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 61273646
methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 91765217

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride (CID 119833088) is 3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCC(C(=O)NCc2nnc3ccccn23)C1.
What is the InChIKey of 3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is FMQOEVRBPYVVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O.2ClH/c14-10-5-4-9(7-10)13(19)15-8-12-17-16-11-3-1-2-6-18(11)12;;/h1-3,6,9-10H,4-5,7-8,14H2,(H,15,19);2*1H.
What are the key properties of 3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 332.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119833088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).