2-[6-amino-5-(1-methylpyrazol-4-yl)pyridazin-3-yl]phenol

C14H13N5O — CID 137029367

IUPAC2-[6-amino-5-(1-methylpyrazol-4-yl)pyridazin-3-yl]phenol
SMILESCn1cc(-c2cc(-c3ccccc3O)nnc2N)cn1
InChIInChI=1S/C14H13N5O/c1-19-8-9(7-16-19)11-6-12(17-18-14(11)15)10-4-2-3-5-13(10)20/h2-8,20H,1H3,(H2,15,18)
InChIKeyJISLSABSHWDDTJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.83
Rot. Bonds2

About 2-[6-amino-5-(1-methylpyrazol-4-yl)pyridazin-3-yl]phenol

2-[6-amino-5-(1-methylpyrazol-4-yl)pyridazin-3-yl]phenol (PubChem CID 137029367) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[6-amino-5-(1-methylpyrazol-4-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(1-methylpyrazol-4-yl)pyridazin-3-yl]phenol
PubChem CID137029367
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-[6-amino-5-(1-methylpyrazol-4-yl)pyridazin-3-yl]phenol
SMILESCn1cc(-c2cc(-c3ccccc3O)nnc2N)cn1
InChIInChI=1S/C14H13N5O/c1-19-8-9(7-16-19)11-6-12(17-18-14(11)15)10-4-2-3-5-13(10)20/h2-8,20H,1H3,(H2,15,18)
InChIKeyJISLSABSHWDDTJ-UHFFFAOYSA-N
XLogP1.83
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807249
5-Fluoro-2-[[[3-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807263
US10308614, Example 194
CID 137029392
US10308614, Example 188
CID 137029401
US10308614, Example 107
CID 137029420
US10308614, Example 195
CID 137029427
US10308614, Example 196
CID 137029428
US10308614, Example 216
CID 137029440
US10308614, Example 68
CID 137029460
US10308614, Example 100
CID 137029519
US10308614, Example 48
CID 137029539
US10308614, Example 191
CID 137045967

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(1-methylpyrazol-4-yl)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(1-methylpyrazol-4-yl)pyridazin-3-yl]phenol (CID 137029367) is 2-[6-amino-5-(1-methylpyrazol-4-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(1-methylpyrazol-4-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(1-methylpyrazol-4-yl)pyridazin-3-yl]phenol is Cn1cc(-c2cc(-c3ccccc3O)nnc2N)cn1.
What is the InChIKey of 2-[6-amino-5-(1-methylpyrazol-4-yl)pyridazin-3-yl]phenol?
The InChIKey is JISLSABSHWDDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-19-8-9(7-16-19)11-6-12(17-18-14(11)15)10-4-2-3-5-13(10)20/h2-8,20H,1H3,(H2,15,18).
What are the key properties of 2-[6-amino-5-(1-methylpyrazol-4-yl)pyridazin-3-yl]phenol?
2-[6-amino-5-(1-methylpyrazol-4-yl)pyridazin-3-yl]phenol has a molecular weight of 267.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(1-methylpyrazol-4-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 137029367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).