2-(4-amino-5,6,7,8-tetrahydrophthalazin-1-yl)-5-ethynylpyridin-3-ol

C15H14N4O — CID 170027269

IUPAC2-(4-amino-5,6,7,8-tetrahydrophthalazin-1-yl)-5-ethynylpyridin-3-ol
SMILESC#Cc1cnc(-c2nnc(N)c3c2CCCC3)c(O)c1
InChIInChI=1S/C15H14N4O/c1-2-9-7-12(20)14(17-8-9)13-10-5-3-4-6-11(10)15(16)19-18-13/h1,7-8,20H,3-6H2,(H2,16,19)
InChIKeyHSSOCGLPYVXBKO-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.69
Rot. Bonds1

About 2-(4-amino-5,6,7,8-tetrahydrophthalazin-1-yl)-5-ethynylpyridin-3-ol

2-(4-amino-5,6,7,8-tetrahydrophthalazin-1-yl)-5-ethynylpyridin-3-ol (PubChem CID 170027269) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-amino-5,6,7,8-tetrahydrophthalazin-1-yl)-5-ethynylpyridin-3-ol.

Molecular Properties

Compound Name2-(4-amino-5,6,7,8-tetrahydrophthalazin-1-yl)-5-ethynylpyridin-3-ol
PubChem CID170027269
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-(4-amino-5,6,7,8-tetrahydrophthalazin-1-yl)-5-ethynylpyridin-3-ol
SMILESC#Cc1cnc(-c2nnc(N)c3c2CCCC3)c(O)c1
InChIInChI=1S/C15H14N4O/c1-2-9-7-12(20)14(17-8-9)13-10-5-3-4-6-11(10)15(16)19-18-13/h1,7-8,20H,3-6H2,(H2,16,19)
InChIKeyHSSOCGLPYVXBKO-UHFFFAOYSA-N
XLogP1.69
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5,6,7,8-tetrahydrophthalazin-1-yl)-5-ethynylpyridin-3-ol?
The IUPAC name of 2-(4-amino-5,6,7,8-tetrahydrophthalazin-1-yl)-5-ethynylpyridin-3-ol (CID 170027269) is 2-(4-amino-5,6,7,8-tetrahydrophthalazin-1-yl)-5-ethynylpyridin-3-ol.
What is the SMILES notation for 2-(4-amino-5,6,7,8-tetrahydrophthalazin-1-yl)-5-ethynylpyridin-3-ol?
The canonical SMILES for 2-(4-amino-5,6,7,8-tetrahydrophthalazin-1-yl)-5-ethynylpyridin-3-ol is C#Cc1cnc(-c2nnc(N)c3c2CCCC3)c(O)c1.
What is the InChIKey of 2-(4-amino-5,6,7,8-tetrahydrophthalazin-1-yl)-5-ethynylpyridin-3-ol?
The InChIKey is HSSOCGLPYVXBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-9-7-12(20)14(17-8-9)13-10-5-3-4-6-11(10)15(16)19-18-13/h1,7-8,20H,3-6H2,(H2,16,19).
What are the key properties of 2-(4-amino-5,6,7,8-tetrahydrophthalazin-1-yl)-5-ethynylpyridin-3-ol?
2-(4-amino-5,6,7,8-tetrahydrophthalazin-1-yl)-5-ethynylpyridin-3-ol has a molecular weight of 266.30 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5,6,7,8-tetrahydrophthalazin-1-yl)-5-ethynylpyridin-3-ol is sourced from PubChem (CID 170027269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).