4-[[6-[[(2R)-1-hydroxypropan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol

C15H17N5O2 — CID 59339195

IUPAC4-[[6-[[(2R)-1-hydroxypropan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
SMILESC[C@H](CO)Nc1ccc2nnc(Cc3ccc(O)cc3)n2n1
InChIInChI=1S/C15H17N5O2/c1-10(9-21)16-13-6-7-14-17-18-15(20(14)19-13)8-11-2-4-12(22)5-3-11/h2-7,10,21-22H,8-9H2,1H3,(H,16,19)/t10-/m1/s1
InChIKeyTYNFKQZJRWYARW-SNVBAGLBSA-N
MW299.33 g/mol
LogP1.21
Rot. Bonds5

About 4-[[6-[[(2R)-1-hydroxypropan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol

4-[[6-[[(2R)-1-hydroxypropan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol (PubChem CID 59339195) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-[[6-[[(2R)-1-hydroxypropan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[6-[[(2R)-1-hydroxypropan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
PubChem CID59339195
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name4-[[6-[[(2R)-1-hydroxypropan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
SMILESC[C@H](CO)Nc1ccc2nnc(Cc3ccc(O)cc3)n2n1
InChIInChI=1S/C15H17N5O2/c1-10(9-21)16-13-6-7-14-17-18-15(20(14)19-13)8-11-2-4-12(22)5-3-11/h2-7,10,21-22H,8-9H2,1H3,(H,16,19)/t10-/m1/s1
InChIKeyTYNFKQZJRWYARW-SNVBAGLBSA-N
XLogP1.21
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[[(2R)-1-hydroxypropan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The IUPAC name of 4-[[6-[[(2R)-1-hydroxypropan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol (CID 59339195) is 4-[[6-[[(2R)-1-hydroxypropan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[6-[[(2R)-1-hydroxypropan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The canonical SMILES for 4-[[6-[[(2R)-1-hydroxypropan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol is C[C@H](CO)Nc1ccc2nnc(Cc3ccc(O)cc3)n2n1.
What is the InChIKey of 4-[[6-[[(2R)-1-hydroxypropan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The InChIKey is TYNFKQZJRWYARW-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-10(9-21)16-13-6-7-14-17-18-15(20(14)19-13)8-11-2-4-12(22)5-3-11/h2-7,10,21-22H,8-9H2,1H3,(H,16,19)/t10-/m1/s1.
What are the key properties of 4-[[6-[[(2R)-1-hydroxypropan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
4-[[6-[[(2R)-1-hydroxypropan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol has a molecular weight of 299.33 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[[(2R)-1-hydroxypropan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol is sourced from PubChem (CID 59339195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).