2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide

C16H19N7 — CID 82565923

IUPAC2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccncc2)n2nc(CCN(C)C)nc12
InChIInChI=1S/C16H19N7/c1-22(2)10-7-14-20-16-12(15(17)18)3-4-13(23(16)21-14)11-5-8-19-9-6-11/h3-6,8-9H,7,10H2,1-2H3,(H3,17,18)
InChIKeyPQPXFMIYXFDPKC-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.18
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide

2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide (PubChem CID 82565923) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
PubChem CID82565923
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccncc2)n2nc(CCN(C)C)nc12
InChIInChI=1S/C16H19N7/c1-22(2)10-7-14-20-16-12(15(17)18)3-4-13(23(16)21-14)11-5-8-19-9-6-11/h3-6,8-9H,7,10H2,1-2H3,(H3,17,18)
InChIKeyPQPXFMIYXFDPKC-UHFFFAOYSA-N
XLogP1.18
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565773
2-[2-(dimethylamino)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565908
2-(4-fluorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565927
2-(2-methoxyethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565906
2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565619
5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565975
2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565620
2-[5-(3-bromophenyl)-8-(4,5-dihydro-1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N,N-dimethylethanamine
CID 82566118
5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565974
2-[3-(dimethylamino)propoxy]pyridine-3-carboximidamide;hydrochloride
CID 82253262
2-[[2-[2-(dimethylamino)ethyl]imidazol-1-yl]methyl]benzenecarboximidamide
CID 82557818
4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 81299445

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide (CID 82565923) is 2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccncc2)n2nc(CCN(C)C)nc12.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
The InChIKey is PQPXFMIYXFDPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-22(2)10-7-14-20-16-12(15(17)18)3-4-13(23(16)21-14)11-5-8-19-9-6-11/h3-6,8-9H,7,10H2,1-2H3,(H3,17,18).
What are the key properties of 2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide has a molecular weight of 309.38 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide is sourced from PubChem (CID 82565923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).