3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde

C10H15N3O — CID 83878454

IUPAC3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
SMILESCC(C)c1nnc2n1CCC(C=O)C2
InChIInChI=1S/C10H15N3O/c1-7(2)10-12-11-9-5-8(6-14)3-4-13(9)10/h6-8H,3-5H2,1-2H3
InChIKeySOLZOBYZZVMEOD-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.16
Rot. Bonds2

About 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde

3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde (PubChem CID 83878454) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
PubChem CID83878454
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
SMILESCC(C)c1nnc2n1CCC(C=O)C2
InChIInChI=1S/C10H15N3O/c1-7(2)10-12-11-9-5-8(6-14)3-4-13(9)10/h6-8H,3-5H2,1-2H3
InChIKeySOLZOBYZZVMEOD-UHFFFAOYSA-N
XLogP1.16
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The IUPAC name of 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde (CID 83878454) is 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The canonical SMILES for 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde is CC(C)c1nnc2n1CCC(C=O)C2.
What is the InChIKey of 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
The InChIKey is SOLZOBYZZVMEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)10-12-11-9-5-8(6-14)3-4-13(9)10/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde?
3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde has a molecular weight of 193.25 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 83878454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).