2-[4-[5-hydrazinyl-6-(imidazo[1,2-b]pyridazin-6-ylmethylamino)-2-pyridinyl]pyrazol-1-yl]ethanol

C17H19N9O — CID 167146775

IUPAC2-[4-[5-hydrazinyl-6-(imidazo[1,2-b]pyridazin-6-ylmethylamino)-2-pyridinyl]pyrazol-1-yl]ethanol
SMILESNNc1ccc(-c2cnn(CCO)c2)nc1NCc1ccc2nccn2n1
InChIInChI=1S/C17H19N9O/c18-23-15-3-2-14(12-9-21-25(11-12)7-8-27)22-17(15)20-10-13-1-4-16-19-5-6-26(16)24-13/h1-6,9,11,23,27H,7-8,10,18H2,(H,20,22)
InChIKeyLYKOZBZKKZXQSK-UHFFFAOYSA-N
MW365.40 g/mol
LogP0.88
Rot. Bonds7

About 2-[4-[5-hydrazinyl-6-(imidazo[1,2-b]pyridazin-6-ylmethylamino)-2-pyridinyl]pyrazol-1-yl]ethanol

2-[4-[5-hydrazinyl-6-(imidazo[1,2-b]pyridazin-6-ylmethylamino)-2-pyridinyl]pyrazol-1-yl]ethanol (PubChem CID 167146775) has the molecular formula C17H19N9O and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-[4-[5-hydrazinyl-6-(imidazo[1,2-b]pyridazin-6-ylmethylamino)-2-pyridinyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-hydrazinyl-6-(imidazo[1,2-b]pyridazin-6-ylmethylamino)-2-pyridinyl]pyrazol-1-yl]ethanol
PubChem CID167146775
Molecular FormulaC17H19N9O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name2-[4-[5-hydrazinyl-6-(imidazo[1,2-b]pyridazin-6-ylmethylamino)-2-pyridinyl]pyrazol-1-yl]ethanol
SMILESNNc1ccc(-c2cnn(CCO)c2)nc1NCc1ccc2nccn2n1
InChIInChI=1S/C17H19N9O/c18-23-15-3-2-14(12-9-21-25(11-12)7-8-27)22-17(15)20-10-13-1-4-16-19-5-6-26(16)24-13/h1-6,9,11,23,27H,7-8,10,18H2,(H,20,22)
InChIKeyLYKOZBZKKZXQSK-UHFFFAOYSA-N
XLogP0.88
TPSA131.21 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-hydrazinyl-6-(imidazo[1,2-b]pyridazin-6-ylmethylamino)-2-pyridinyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[5-hydrazinyl-6-(imidazo[1,2-b]pyridazin-6-ylmethylamino)-2-pyridinyl]pyrazol-1-yl]ethanol (CID 167146775) is 2-[4-[5-hydrazinyl-6-(imidazo[1,2-b]pyridazin-6-ylmethylamino)-2-pyridinyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-hydrazinyl-6-(imidazo[1,2-b]pyridazin-6-ylmethylamino)-2-pyridinyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-hydrazinyl-6-(imidazo[1,2-b]pyridazin-6-ylmethylamino)-2-pyridinyl]pyrazol-1-yl]ethanol is NNc1ccc(-c2cnn(CCO)c2)nc1NCc1ccc2nccn2n1.
What is the InChIKey of 2-[4-[5-hydrazinyl-6-(imidazo[1,2-b]pyridazin-6-ylmethylamino)-2-pyridinyl]pyrazol-1-yl]ethanol?
The InChIKey is LYKOZBZKKZXQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N9O/c18-23-15-3-2-14(12-9-21-25(11-12)7-8-27)22-17(15)20-10-13-1-4-16-19-5-6-26(16)24-13/h1-6,9,11,23,27H,7-8,10,18H2,(H,20,22).
What are the key properties of 2-[4-[5-hydrazinyl-6-(imidazo[1,2-b]pyridazin-6-ylmethylamino)-2-pyridinyl]pyrazol-1-yl]ethanol?
2-[4-[5-hydrazinyl-6-(imidazo[1,2-b]pyridazin-6-ylmethylamino)-2-pyridinyl]pyrazol-1-yl]ethanol has a molecular weight of 365.40 g/mol, XLogP of 0.88, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-hydrazinyl-6-(imidazo[1,2-b]pyridazin-6-ylmethylamino)-2-pyridinyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 167146775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).