2-amino-6-[(3E)-penta-1,3-dien-3-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C15H19N5O — CID 155713907

IUPAC2-amino-6-[(3E)-penta-1,3-dien-3-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESC=C/C(=C\C)c1cc(C(=O)NC(C)C)c2nc(N)nn2c1
InChIInChI=1S/C15H19N5O/c1-5-10(6-2)11-7-12(14(21)17-9(3)4)13-18-15(16)19-20(13)8-11/h5-9H,1H2,2-4H3,(H2,16,19)(H,17,21)/b10-6+
InChIKeyCTKWIGXHEVBXAQ-UXBLZVDNSA-N
MW285.35 g/mol
LogP2.04
Rot. Bonds4

About 2-amino-6-[(3E)-penta-1,3-dien-3-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

2-amino-6-[(3E)-penta-1,3-dien-3-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 155713907) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-amino-6-[(3E)-penta-1,3-dien-3-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-amino-6-[(3E)-penta-1,3-dien-3-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID155713907
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-amino-6-[(3E)-penta-1,3-dien-3-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESC=C/C(=C\C)c1cc(C(=O)NC(C)C)c2nc(N)nn2c1
InChIInChI=1S/C15H19N5O/c1-5-10(6-2)11-7-12(14(21)17-9(3)4)13-18-15(16)19-20(13)8-11/h5-9H,1H2,2-4H3,(H2,16,19)(H,17,21)/b10-6+
InChIKeyCTKWIGXHEVBXAQ-UXBLZVDNSA-N
XLogP2.04
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(3E)-penta-1,3-dien-3-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 2-amino-6-[(3E)-penta-1,3-dien-3-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 155713907) is 2-amino-6-[(3E)-penta-1,3-dien-3-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-amino-6-[(3E)-penta-1,3-dien-3-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 2-amino-6-[(3E)-penta-1,3-dien-3-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is C=C/C(=C\C)c1cc(C(=O)NC(C)C)c2nc(N)nn2c1.
What is the InChIKey of 2-amino-6-[(3E)-penta-1,3-dien-3-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is CTKWIGXHEVBXAQ-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H19N5O/c1-5-10(6-2)11-7-12(14(21)17-9(3)4)13-18-15(16)19-20(13)8-11/h5-9H,1H2,2-4H3,(H2,16,19)(H,17,21)/b10-6+.
What are the key properties of 2-amino-6-[(3E)-penta-1,3-dien-3-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
2-amino-6-[(3E)-penta-1,3-dien-3-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(3E)-penta-1,3-dien-3-yl]-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 155713907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).