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

C12H18N6 — CID 82565908

IUPAC2-[2-(dimethylamino)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)n2nc(CCN(C)C)nc12
InChIInChI=1S/C12H18N6/c1-8-4-5-9(11(13)14)12-15-10(16-18(8)12)6-7-17(2)3/h4-5H,6-7H2,1-3H3,(H3,13,14)
InChIKeyASPBSXPUXZSGFE-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.43
Rot. Bonds4

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

2-[2-(dimethylamino)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide (PubChem CID 82565908) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
PubChem CID82565908
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name2-[2-(dimethylamino)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)n2nc(CCN(C)C)nc12
InChIInChI=1S/C12H18N6/c1-8-4-5-9(11(13)14)12-15-10(16-18(8)12)6-7-17(2)3/h4-5H,6-7H2,1-3H3,(H3,13,14)
InChIKeyASPBSXPUXZSGFE-UHFFFAOYSA-N
XLogP0.43
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-carboximidamide
CID 82565923
2-(2-methoxyethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565906
2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565773
5-(3-bromophenyl)-2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565975
6-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboximidamide
CID 63207811
2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboximidamide
CID 82427595
2-[[2-[2-(dimethylamino)ethyl]imidazol-1-yl]methyl]benzenecarboximidamide
CID 82557818
2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63694371
1-cyclopropyl-6-methyl-2-oxopyridine-3-carboximidamide
CID 82525216
5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide
CID 55242716
2-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboximidamide
CID 62984137
2-(4-fluorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565927

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide (CID 82565908) is 2-[2-(dimethylamino)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide is [H]/N=C(\N)c1ccc(C)n2nc(CCN(C)C)nc12.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
The InChIKey is ASPBSXPUXZSGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-8-4-5-9(11(13)14)12-15-10(16-18(8)12)6-7-17(2)3/h4-5H,6-7H2,1-3H3,(H3,13,14).
What are the key properties of 2-[2-(dimethylamino)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide?
2-[2-(dimethylamino)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide has a molecular weight of 246.32 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide is sourced from PubChem (CID 82565908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).