4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol

C13H16N4O — CID 135770313

IUPAC4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol
SMILESCc1cc(-c2ccc(O)cc2)nnc1NCCN
InChIInChI=1S/C13H16N4O/c1-9-8-12(10-2-4-11(18)5-3-10)16-17-13(9)15-7-6-14/h2-5,8,18H,6-7,14H2,1H3,(H,15,17)
InChIKeyYBBFPPYFMYGBSU-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.53
Rot. Bonds4

About 4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol

4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol (PubChem CID 135770313) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol.

Molecular Properties

Compound Name4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol
PubChem CID135770313
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol
SMILESCc1cc(-c2ccc(O)cc2)nnc1NCCN
InChIInChI=1S/C13H16N4O/c1-9-8-12(10-2-4-11(18)5-3-10)16-17-13(9)15-7-6-14/h2-5,8,18H,6-7,14H2,1H3,(H,15,17)
InChIKeyYBBFPPYFMYGBSU-UHFFFAOYSA-N
XLogP1.53
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol?
The IUPAC name of 4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol (CID 135770313) is 4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol.
What is the SMILES notation for 4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol?
The canonical SMILES for 4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol is Cc1cc(-c2ccc(O)cc2)nnc1NCCN.
What is the InChIKey of 4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol?
The InChIKey is YBBFPPYFMYGBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-8-12(10-2-4-11(18)5-3-10)16-17-13(9)15-7-6-14/h2-5,8,18H,6-7,14H2,1H3,(H,15,17).
What are the key properties of 4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol?
4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol has a molecular weight of 244.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-aminoethylamino)-5-methylpyridazin-3-yl]phenol is sourced from PubChem (CID 135770313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).