2-cyclopropyl-5-[4-(hydroxymethyl)hepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol

C17H19N3O2 — CID 90743453

IUPAC2-cyclopropyl-5-[4-(hydroxymethyl)hepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESC=C(C=C(C=CC)CO)c1ccc(O)c2nc(C3CC3)nn12
InChIInChI=1S/C17H19N3O2/c1-3-4-12(10-21)9-11(2)14-7-8-15(22)17-18-16(13-5-6-13)19-20(14)17/h3-4,7-9,13,21-22H,2,5-6,10H2,1H3
InChIKeyDROBTVXVTXSIJC-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.82
Rot. Bonds5

About 2-cyclopropyl-5-[4-(hydroxymethyl)hepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol

2-cyclopropyl-5-[4-(hydroxymethyl)hepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol (PubChem CID 90743453) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-(hydroxymethyl)hepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-(hydroxymethyl)hepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
PubChem CID90743453
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-cyclopropyl-5-[4-(hydroxymethyl)hepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESC=C(C=C(C=CC)CO)c1ccc(O)c2nc(C3CC3)nn12
InChIInChI=1S/C17H19N3O2/c1-3-4-12(10-21)9-11(2)14-7-8-15(22)17-18-16(13-5-6-13)19-20(14)17/h3-4,7-9,13,21-22H,2,5-6,10H2,1H3
InChIKeyDROBTVXVTXSIJC-UHFFFAOYSA-N
XLogP2.82
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.82
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-cyclopropyl-5-[4-(hydroxymethyl)hepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The IUPAC name of 2-cyclopropyl-5-[4-(hydroxymethyl)hepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol (CID 90743453) is 2-cyclopropyl-5-[4-(hydroxymethyl)hepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol.
What is the SMILES notation for 2-cyclopropyl-5-[4-(hydroxymethyl)hepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The canonical SMILES for 2-cyclopropyl-5-[4-(hydroxymethyl)hepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol is C=C(C=C(C=CC)CO)c1ccc(O)c2nc(C3CC3)nn12.
What is the InChIKey of 2-cyclopropyl-5-[4-(hydroxymethyl)hepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The InChIKey is DROBTVXVTXSIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-4-12(10-21)9-11(2)14-7-8-15(22)17-18-16(13-5-6-13)19-20(14)17/h3-4,7-9,13,21-22H,2,5-6,10H2,1H3.
What are the key properties of 2-cyclopropyl-5-[4-(hydroxymethyl)hepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
2-cyclopropyl-5-[4-(hydroxymethyl)hepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol has a molecular weight of 297.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-(hydroxymethyl)hepta-1,3,5-trien-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol is sourced from PubChem (CID 90743453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).