3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide

C10H13N5 — CID 83881575

IUPAC3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
SMILES[H]/N=C(\N)c1cccn2c(C(C)C)nnc12
InChIInChI=1S/C10H13N5/c1-6(2)9-13-14-10-7(8(11)12)4-3-5-15(9)10/h3-6H,1-2H3,(H3,11,12)
InChIKeyRFYVQHVDUZUEAW-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.14
Rot. Bonds2

About 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide

3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide (PubChem CID 83881575) 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-8-carboximidamide.

Molecular Properties

Compound Name3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
PubChem CID83881575
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
SMILES[H]/N=C(\N)c1cccn2c(C(C)C)nnc12
InChIInChI=1S/C10H13N5/c1-6(2)9-13-14-10-7(8(11)12)4-3-5-15(9)10/h3-6H,1-2H3,(H3,11,12)
InChIKeyRFYVQHVDUZUEAW-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

3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83877169
[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83873031
1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene-9-carboximidamide
CID 121209415
2-(2-propan-2-ylimidazol-1-yl)pyridine-3-carboximidamide
CID 28561125
1-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83866519
3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboximidamide
CID 83881581
3-cyclopropyl-1-methylimidazo[1,5-a]pyridine-8-carboximidamide
CID 83886369
1-propan-2-ylindole-4-carboximidamide
CID 29038159
2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride
CID 82240525
2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 62334639
8-chloroimidazo[1,2-a]pyridine-3-carboximidamide
CID 83879193
2-(propan-2-ylamino)pyridine-3-carboximidamide
CID 22416553

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide?
The IUPAC name of 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide (CID 83881575) is 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide.
What is the SMILES notation for 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide?
The canonical SMILES for 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide is [H]/N=C(\N)c1cccn2c(C(C)C)nnc12.
What is the InChIKey of 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide?
The InChIKey is RFYVQHVDUZUEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-6(2)9-13-14-10-7(8(11)12)4-3-5-15(9)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-8-carboximidamide?
3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-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-8-carboximidamide is sourced from PubChem (CID 83881575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).