3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboximidamide

C10H13N5 — CID 83881581

IUPAC3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboximidamide
SMILES[H]/N=C(\N)c1cccc2nnc(C(C)C)n12
InChIInChI=1S/C10H13N5/c1-6(2)10-14-13-8-5-3-4-7(9(11)12)15(8)10/h3-6H,1-2H3,(H3,11,12)
InChIKeyGLCSEYMHSCUZJN-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.14
Rot. Bonds2

About 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboximidamide

3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboximidamide (PubChem CID 83881581) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboximidamide.

Molecular Properties

Compound Name3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboximidamide
PubChem CID83881581
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboximidamide
SMILES[H]/N=C(\N)c1cccc2nnc(C(C)C)n12
InChIInChI=1S/C10H13N5/c1-6(2)10-14-13-8-5-3-4-7(9(11)12)15(8)10/h3-6H,1-2H3,(H3,11,12)
InChIKeyGLCSEYMHSCUZJN-UHFFFAOYSA-N
XLogP1.14
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

tetrazolo[1,5-a]pyridine-5-carboximidamide
CID 83873084
3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83881575
3-cyclopropylimidazo[1,5-a]pyridine-5-carboximidamide
CID 83880717
2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboximidamide
CID 83881571
3-phenyl-1-propan-2-ylpyrazole-5-carboximidamide
CID 121211345
3-propan-2-ylpyridine-2-carboximidamide
CID 131699759
pyridine-2,6-dicarboximidamide
CID 23373306
2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carboximidamide
CID 28561125
1-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine
CID 83871147
2,6-dimethylbenzenecarboximidamide
CID 5047790
2-methylsulfanyl-6-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 103496268
2-chloro-6-[4-(1-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 106836145

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboximidamide?
The IUPAC name of 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboximidamide (CID 83881581) is 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboximidamide.
What is the SMILES notation for 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboximidamide?
The canonical SMILES for 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboximidamide is [H]/N=C(\N)c1cccc2nnc(C(C)C)n12.
What is the InChIKey of 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboximidamide?
The InChIKey is GLCSEYMHSCUZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-6(2)10-14-13-8-5-3-4-7(9(11)12)15(8)10/h3-6H,1-2H3,(H3,11,12).
What are the key properties of 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboximidamide?
3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboximidamide has a molecular weight of 203.25 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboximidamide is sourced from PubChem (CID 83881581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).