2-[2-hydroxyethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol

C12H17N5O2 — CID 71862443

IUPAC2-[2-hydroxyethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol
SMILESCc1ccn(-c2ccc(N(CCO)CCO)nn2)n1
InChIInChI=1S/C12H17N5O2/c1-10-4-5-17(15-10)12-3-2-11(13-14-12)16(6-8-18)7-9-19/h2-5,18-19H,6-9H2,1H3
InChIKeyVPLIWQRXECKKKZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.24
Rot. Bonds6

About 2-[2-hydroxyethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol

2-[2-hydroxyethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol (PubChem CID 71862443) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol
PubChem CID71862443
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-[2-hydroxyethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol
SMILESCc1ccn(-c2ccc(N(CCO)CCO)nn2)n1
InChIInChI=1S/C12H17N5O2/c1-10-4-5-17(15-10)12-3-2-11(13-14-12)16(6-8-18)7-9-19/h2-5,18-19H,6-9H2,1H3
InChIKeyVPLIWQRXECKKKZ-UHFFFAOYSA-N
XLogP-0.24
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol (CID 71862443) is 2-[2-hydroxyethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol is Cc1ccn(-c2ccc(N(CCO)CCO)nn2)n1.
What is the InChIKey of 2-[2-hydroxyethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol?
The InChIKey is VPLIWQRXECKKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-10-4-5-17(15-10)12-3-2-11(13-14-12)16(6-8-18)7-9-19/h2-5,18-19H,6-9H2,1H3.
What are the key properties of 2-[2-hydroxyethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol?
2-[2-hydroxyethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol has a molecular weight of 263.30 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethanol is sourced from PubChem (CID 71862443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).