4-[[(6-methoxypyridazin-3-yl)methylamino]methyl]phenol

C13H15N3O2 — CID 114268620

IUPAC4-[[(6-methoxypyridazin-3-yl)methylamino]methyl]phenol
SMILESCOc1ccc(CNCc2ccc(O)cc2)nn1
InChIInChI=1S/C13H15N3O2/c1-18-13-7-4-11(15-16-13)9-14-8-10-2-5-12(17)6-3-10/h2-7,14,17H,8-9H2,1H3
InChIKeyPMQHYMVLFYQGML-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.48
Rot. Bonds5

About 4-[[(6-methoxypyridazin-3-yl)methylamino]methyl]phenol

4-[[(6-methoxypyridazin-3-yl)methylamino]methyl]phenol (PubChem CID 114268620) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[[(6-methoxypyridazin-3-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[(6-methoxypyridazin-3-yl)methylamino]methyl]phenol
PubChem CID114268620
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-[[(6-methoxypyridazin-3-yl)methylamino]methyl]phenol
SMILESCOc1ccc(CNCc2ccc(O)cc2)nn1
InChIInChI=1S/C13H15N3O2/c1-18-13-7-4-11(15-16-13)9-14-8-10-2-5-12(17)6-3-10/h2-7,14,17H,8-9H2,1H3
InChIKeyPMQHYMVLFYQGML-UHFFFAOYSA-N
XLogP1.48
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[(6-methoxy-2-pyridinyl)methylamino]methyl]phenyl]methanol
CID 107230279
3-methoxy-6-(methoxymethyl)pyridazine
CID 117104950
4-[[(6-bromo-2-pyridinyl)methylamino]methyl]phenol
CID 115978503
4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]phenol
CID 115603288
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenol
CID 115603266
N-[[1-[(6-methoxypyridazin-3-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 114268825
4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
CID 115688990
4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol
CID 102809731
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
CID 115581451
2-(cyclopenten-1-yl)-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 114268637
N-[[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]methyl]propan-2-amine
CID 62291863
2-amino-N-[(6-methoxypyridazin-3-yl)methyl]-3-methylbutanamide
CID 77144650

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-methoxypyridazin-3-yl)methylamino]methyl]phenol?
The IUPAC name of 4-[[(6-methoxypyridazin-3-yl)methylamino]methyl]phenol (CID 114268620) is 4-[[(6-methoxypyridazin-3-yl)methylamino]methyl]phenol.
What is the SMILES notation for 4-[[(6-methoxypyridazin-3-yl)methylamino]methyl]phenol?
The canonical SMILES for 4-[[(6-methoxypyridazin-3-yl)methylamino]methyl]phenol is COc1ccc(CNCc2ccc(O)cc2)nn1.
What is the InChIKey of 4-[[(6-methoxypyridazin-3-yl)methylamino]methyl]phenol?
The InChIKey is PMQHYMVLFYQGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-13-7-4-11(15-16-13)9-14-8-10-2-5-12(17)6-3-10/h2-7,14,17H,8-9H2,1H3.
What are the key properties of 4-[[(6-methoxypyridazin-3-yl)methylamino]methyl]phenol?
4-[[(6-methoxypyridazin-3-yl)methylamino]methyl]phenol has a molecular weight of 245.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-methoxypyridazin-3-yl)methylamino]methyl]phenol is sourced from PubChem (CID 114268620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).