2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride

C14H23Cl2N5O — CID 119836867

IUPAC2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride
SMILESCCCC(C)(N)C(=O)NC(C)c1nnc2ccccn12.Cl.Cl
InChIInChI=1S/C14H21N5O.2ClH/c1-4-8-14(3,15)13(20)16-10(2)12-18-17-11-7-5-6-9-19(11)12;;/h5-7,9-10H,4,8,15H2,1-3H3,(H,16,20);2*1H
InChIKeyWGGSWBCXVZCHED-UHFFFAOYSA-N
MW348.28 g/mol
LogP2.27
Rot. Bonds5

About 2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride

2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride (PubChem CID 119836867) has the molecular formula C14H23Cl2N5O and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride
PubChem CID119836867
Molecular FormulaC14H23Cl2N5O
Molecular Weight348.28 g/mol
Exact Mass347.13
IUPAC Name2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride
SMILESCCCC(C)(N)C(=O)NC(C)c1nnc2ccccn12.Cl.Cl
InChIInChI=1S/C14H21N5O.2ClH/c1-4-8-14(3,15)13(20)16-10(2)12-18-17-11-7-5-6-9-19(11)12;;/h5-7,9-10H,4,8,15H2,1-3H3,(H,16,20);2*1H
InChIKeyWGGSWBCXVZCHED-UHFFFAOYSA-N
XLogP2.27
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride 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

2,2,2-trifluoro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 62492143
3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 47013028
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide
CID 154774195
tert-butyl N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamate
CID 12000312
(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 111504246
2-amino-4-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 43703576
2-(methylamino)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 55097089
2-piperidin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide;dihydrochloride
CID 119836844
4-hydroxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide
CID 79200415
2-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51247663

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride (CID 119836867) is 2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride is CCCC(C)(N)C(=O)NC(C)c1nnc2ccccn12.Cl.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride?
The InChIKey is WGGSWBCXVZCHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O.2ClH/c1-4-8-14(3,15)13(20)16-10(2)12-18-17-11-7-5-6-9-19(11)12;;/h5-7,9-10H,4,8,15H2,1-3H3,(H,16,20);2*1H.
What are the key properties of 2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride?
2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride has a molecular weight of 348.28 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentanamide;dihydrochloride is sourced from PubChem (CID 119836867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).