2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol

C9H11N5O — CID 105107071

IUPAC2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol
SMILESCn1ncnc1CC(O)c1ccnnc1
InChIInChI=1S/C9H11N5O/c1-14-9(10-6-13-14)4-8(15)7-2-3-11-12-5-7/h2-3,5-6,8,15H,4H2,1H3
InChIKeyQUYINPISRLNQKM-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.12
Rot. Bonds3

About 2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol

2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol (PubChem CID 105107071) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol.

Molecular Properties

Compound Name2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol
PubChem CID105107071
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol
SMILESCn1ncnc1CC(O)c1ccnnc1
InChIInChI=1S/C9H11N5O/c1-14-9(10-6-13-14)4-8(15)7-2-3-11-12-5-7/h2-3,5-6,8,15H,4H2,1H3
InChIKeyQUYINPISRLNQKM-UHFFFAOYSA-N
XLogP-0.12
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 106756246
2-(2-methyl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 105107145
1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 103443585
1-(4-fluoro-3-methoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 115812576
1-(2-amino-5-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 82685780
1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 115812649
1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 112575472
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-pyridazin-4-ylethanol
CID 105105629
2-(2-methyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol
CID 105107161
2-(2,6-dimethylphenyl)-1-pyridazin-4-ylethanol
CID 105120710
1-(2,4-dibromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 107947585
[2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridin-3-ylethyl]hydrazine
CID 105196128

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol?
The IUPAC name of 2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol (CID 105107071) is 2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol.
What is the SMILES notation for 2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol?
The canonical SMILES for 2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol is Cn1ncnc1CC(O)c1ccnnc1.
What is the InChIKey of 2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol?
The InChIKey is QUYINPISRLNQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-14-9(10-6-13-14)4-8(15)7-2-3-11-12-5-7/h2-3,5-6,8,15H,4H2,1H3.
What are the key properties of 2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol?
2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol has a molecular weight of 205.22 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridazin-4-ylethanol is sourced from PubChem (CID 105107071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).