6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide

C18H23N5O2 — CID 109115651

IUPAC6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(NCc2ccccc2)nn1
InChIInChI=1S/C18H23N5O2/c24-18(19-8-9-23-10-12-25-13-11-23)16-6-7-17(22-21-16)20-14-15-4-2-1-3-5-15/h1-7H,8-14H2,(H,19,24)(H,20,22)
InChIKeyMZQIMEBYERTGNS-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.15
Rot. Bonds7

About 6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide

6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide (PubChem CID 109115651) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
PubChem CID109115651
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(NCc2ccccc2)nn1
InChIInChI=1S/C18H23N5O2/c24-18(19-8-9-23-10-12-25-13-11-23)16-6-7-17(22-21-16)20-14-15-4-2-1-3-5-15/h1-7H,8-14H2,(H,19,24)(H,20,22)
InChIKeyMZQIMEBYERTGNS-UHFFFAOYSA-N
XLogP1.15
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide (CID 109115651) is 6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide is O=C(NCCN1CCOCC1)c1ccc(NCc2ccccc2)nn1.
What is the InChIKey of 6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide?
The InChIKey is MZQIMEBYERTGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-18(19-8-9-23-10-12-25-13-11-23)16-6-7-17(22-21-16)20-14-15-4-2-1-3-5-15/h1-7H,8-14H2,(H,19,24)(H,20,22).
What are the key properties of 6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide?
6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109115651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).