N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride

C13H20ClN5O2 — CID 120828386

IUPACN-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride
SMILESCNC(C)CNC(=O)CCn1nc2ccccn2c1=O.Cl
InChIInChI=1S/C13H19N5O2.ClH/c1-10(14-2)9-15-12(19)6-8-18-13(20)17-7-4-3-5-11(17)16-18;/h3-5,7,10,14H,6,8-9H2,1-2H3,(H,15,19);1H
InChIKeyKCDZLVMEZYOFFE-UHFFFAOYSA-N
MW313.79 g/mol
LogP0.03
Rot. Bonds6

About N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride

N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride (PubChem CID 120828386) has the molecular formula C13H20ClN5O2 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride
PubChem CID120828386
Molecular FormulaC13H20ClN5O2
Molecular Weight313.79 g/mol
Exact Mass313.13
IUPAC NameN-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride
SMILESCNC(C)CNC(=O)CCn1nc2ccccn2c1=O.Cl
InChIInChI=1S/C13H19N5O2.ClH/c1-10(14-2)9-15-12(19)6-8-18-13(20)17-7-4-3-5-11(17)16-18;/h3-5,7,10,14H,6,8-9H2,1-2H3,(H,15,19);1H
InChIKeyKCDZLVMEZYOFFE-UHFFFAOYSA-N
XLogP0.03
TPSA80.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 75395634
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide
CID 115577809
2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid
CID 43245331
2-hydroxy-3-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]propanamide
CID 107261312
1-[(2R)-butan-2-yl]-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 94796607
N-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride
CID 120828699
2-(5-oxohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017705
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 100906527
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
CID 55863625
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 43378341
2-methyl-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 116618681

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride (CID 120828386) is N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride is CNC(C)CNC(=O)CCn1nc2ccccn2c1=O.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride?
The InChIKey is KCDZLVMEZYOFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2.ClH/c1-10(14-2)9-15-12(19)6-8-18-13(20)17-7-4-3-5-11(17)16-18;/h3-5,7,10,14H,6,8-9H2,1-2H3,(H,15,19);1H.
What are the key properties of N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride?
N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride has a molecular weight of 313.79 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 120828386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).