3-methyl-N-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

C14H20N4O2 — CID 84577389

IUPAC3-methyl-N-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCc1nnc2cc(C(=O)NCCCOC(C)C)ccn12
InChIInChI=1S/C14H20N4O2/c1-10(2)20-8-4-6-15-14(19)12-5-7-18-11(3)16-17-13(18)9-12/h5,7,9-10H,4,6,8H2,1-3H3,(H,15,19)
InChIKeySGXGJWBJKQSOLX-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.58
Rot. Bonds6

About 3-methyl-N-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

3-methyl-N-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (PubChem CID 84577389) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-methyl-N-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
PubChem CID84577389
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-methyl-N-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCc1nnc2cc(C(=O)NCCCOC(C)C)ccn12
InChIInChI=1S/C14H20N4O2/c1-10(2)20-8-4-6-15-14(19)12-5-7-18-11(3)16-17-13(18)9-12/h5,7,9-10H,4,6,8H2,1-3H3,(H,15,19)
InChIKeySGXGJWBJKQSOLX-UHFFFAOYSA-N
XLogP1.58
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The IUPAC name of 3-methyl-N-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (CID 84577389) is 3-methyl-N-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The canonical SMILES for 3-methyl-N-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is Cc1nnc2cc(C(=O)NCCCOC(C)C)ccn12.
What is the InChIKey of 3-methyl-N-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The InChIKey is SGXGJWBJKQSOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(2)20-8-4-6-15-14(19)12-5-7-18-11(3)16-17-13(18)9-12/h5,7,9-10H,4,6,8H2,1-3H3,(H,15,19).
What are the key properties of 3-methyl-N-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
3-methyl-N-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-propan-2-yloxypropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is sourced from PubChem (CID 84577389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).