(3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol

C13H11N5O — CID 105128605

IUPAC(3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol
SMILESOC(c1ccnnc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C13H11N5O/c19-13(10-6-7-14-15-8-10)12-9-16-17-18(12)11-4-2-1-3-5-11/h1-9,13,19H
InChIKeyXESOCSWFXOTVMS-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.14
Rot. Bonds3

About (3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol

(3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol (PubChem CID 105128605) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is (3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol.

Molecular Properties

Compound Name(3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol
PubChem CID105128605
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name(3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol
SMILESOC(c1ccnnc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C13H11N5O/c19-13(10-6-7-14-15-8-10)12-9-16-17-18(12)11-4-2-1-3-5-11/h1-9,13,19H
InChIKeyXESOCSWFXOTVMS-UHFFFAOYSA-N
XLogP1.14
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684808
(3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684827
(2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684777
(3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114685520
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684694
(3-chloro-4-iodophenyl)-(3-phenyltriazol-4-yl)methanol
CID 103217123
(3-propyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105126997
1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanol
CID 114686391
(3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol
CID 114685473
(5-bromo-2-methylphenyl)-(3-phenyltriazol-4-yl)methanol
CID 115835877
2-methylsulfonyl-1-(3-phenyltriazol-4-yl)propan-1-ol
CID 115835918
2-methyl-1-(3-phenyltriazol-4-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 114686563

Frequently Asked Questions

What is the IUPAC name of (3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol?
The IUPAC name of (3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol (CID 105128605) is (3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol.
What is the SMILES notation for (3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol?
The canonical SMILES for (3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol is OC(c1ccnnc1)c1cnnn1-c1ccccc1.
What is the InChIKey of (3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol?
The InChIKey is XESOCSWFXOTVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c19-13(10-6-7-14-15-8-10)12-9-16-17-18(12)11-4-2-1-3-5-11/h1-9,13,19H.
What are the key properties of (3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol?
(3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol has a molecular weight of 253.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol is sourced from PubChem (CID 105128605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).