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

C17H15N7O — CID 143479687

IUPAC4-[[6-[(6-methylpyridazin-3-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
SMILESCc1ccc(Nc2ccc3nnc(Cc4ccc(O)cc4)n3n2)nn1
InChIInChI=1S/C17H15N7O/c1-11-2-7-14(20-19-11)18-15-8-9-16-21-22-17(24(16)23-15)10-12-3-5-13(25)6-4-12/h2-9,25H,10H2,1H3,(H,18,20,23)
InChIKeySDVQNZQXGHXRMX-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.26
Rot. Bonds4

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

4-[[6-[(6-methylpyridazin-3-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol (PubChem CID 143479687) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 4-[[6-[(6-methylpyridazin-3-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[6-[(6-methylpyridazin-3-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
PubChem CID143479687
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name4-[[6-[(6-methylpyridazin-3-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
SMILESCc1ccc(Nc2ccc3nnc(Cc4ccc(O)cc4)n3n2)nn1
InChIInChI=1S/C17H15N7O/c1-11-2-7-14(20-19-11)18-15-8-9-16-21-22-17(24(16)23-15)10-12-3-5-13(25)6-4-12/h2-9,25H,10H2,1H3,(H,18,20,23)
InChIKeySDVQNZQXGHXRMX-UHFFFAOYSA-N
XLogP2.26
TPSA101.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[6-[(6-methylpyridazin-3-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol with MolForge

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Related Compounds

4-[[6-(5-chloro-2-methylanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 59339030
4-[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 143479680
4-[[6-[[(2R)-1-hydroxypropan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 59339195
4-[[6-(3-methoxyanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 59339225
3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-methylbenzamide
CID 59339287
4-[[6-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 59339217
4-[[6-(cyclohexylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 59338866
4-[[6-[[(2S)-2-phenylcyclopropyl]amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol
CID 143479741
N-[2-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclohexyl]-3-methoxypropanamide
CID 143479658
4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
CID 117142098
N-(3-ethylphenyl)-3-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 59339213
1-[3-[[3-[(4-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-1-yl]-2-phenylethanone
CID 59339024

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(6-methylpyridazin-3-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The IUPAC name of 4-[[6-[(6-methylpyridazin-3-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol (CID 143479687) is 4-[[6-[(6-methylpyridazin-3-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[6-[(6-methylpyridazin-3-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The canonical SMILES for 4-[[6-[(6-methylpyridazin-3-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol is Cc1ccc(Nc2ccc3nnc(Cc4ccc(O)cc4)n3n2)nn1.
What is the InChIKey of 4-[[6-[(6-methylpyridazin-3-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
The InChIKey is SDVQNZQXGHXRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-11-2-7-14(20-19-11)18-15-8-9-16-21-22-17(24(16)23-15)10-12-3-5-13(25)6-4-12/h2-9,25H,10H2,1H3,(H,18,20,23).
What are the key properties of 4-[[6-[(6-methylpyridazin-3-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol?
4-[[6-[(6-methylpyridazin-3-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol has a molecular weight of 333.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(6-methylpyridazin-3-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]phenol is sourced from PubChem (CID 143479687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).