4-[6-(hydroxymethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]phenol

C11H10N4O2 — CID 135788032

IUPAC4-[6-(hydroxymethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]phenol
SMILESOCc1cc2nnc(-c3ccc(O)cc3)n2[nH]1
InChIInChI=1S/C11H10N4O2/c16-6-8-5-10-12-13-11(15(10)14-8)7-1-3-9(17)4-2-7/h1-5,14,16-17H,6H2
InChIKeyGCOLSSZCAHICDT-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.92
Rot. Bonds2

About 4-[6-(hydroxymethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]phenol

4-[6-(hydroxymethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]phenol (PubChem CID 135788032) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 4-[6-(hydroxymethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]phenol.

Molecular Properties

Compound Name4-[6-(hydroxymethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]phenol
PubChem CID135788032
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name4-[6-(hydroxymethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]phenol
SMILESOCc1cc2nnc(-c3ccc(O)cc3)n2[nH]1
InChIInChI=1S/C11H10N4O2/c16-6-8-5-10-12-13-11(15(10)14-8)7-1-3-9(17)4-2-7/h1-5,14,16-17H,6H2
InChIKeyGCOLSSZCAHICDT-UHFFFAOYSA-N
XLogP0.92
TPSA86.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 137006529
2-[3-(2-chlorophenyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-6-yl]acetic acid
CID 22979695
4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)phenol
CID 135599849
4-[[4-(4-hydroxyphenyl)phenyl]methyl]phenol
CID 58720488
6-tert-butyl-3-(3-methylphenyl)-5H-pyrazolo[5,1-c][1,2,4]triazole
CID 15404575
ethyl 2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 865787
4-[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105456043
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 137004647
1-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]quinolin-7-ol
CID 115028975
4-[2,6-difluoro-4-(hydroxymethyl)phenyl]phenol
CID 22669988
4-(hydroxymethyl)phenol;hydrate
CID 141133894

Frequently Asked Questions

What is the IUPAC name of 4-[6-(hydroxymethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]phenol?
The IUPAC name of 4-[6-(hydroxymethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]phenol (CID 135788032) is 4-[6-(hydroxymethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]phenol.
What is the SMILES notation for 4-[6-(hydroxymethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]phenol?
The canonical SMILES for 4-[6-(hydroxymethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]phenol is OCc1cc2nnc(-c3ccc(O)cc3)n2[nH]1.
What is the InChIKey of 4-[6-(hydroxymethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]phenol?
The InChIKey is GCOLSSZCAHICDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-6-8-5-10-12-13-11(15(10)14-8)7-1-3-9(17)4-2-7/h1-5,14,16-17H,6H2.
What are the key properties of 4-[6-(hydroxymethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]phenol?
4-[6-(hydroxymethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]phenol has a molecular weight of 230.23 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(hydroxymethyl)-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl]phenol is sourced from PubChem (CID 135788032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).