6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide

C12H19N5O2 — CID 106621384

IUPAC6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(N(CCO)CC2CCCN2)nn1
InChIInChI=1S/C12H19N5O2/c13-12(19)10-3-4-11(16-15-10)17(6-7-18)8-9-2-1-5-14-9/h3-4,9,14,18H,1-2,5-8H2,(H2,13,19)
InChIKeyRACXVNCLPJUEOP-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.87
Rot. Bonds6

About 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide

6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide (PubChem CID 106621384) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide
PubChem CID106621384
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(N(CCO)CC2CCCN2)nn1
InChIInChI=1S/C12H19N5O2/c13-12(19)10-3-4-11(16-15-10)17(6-7-18)8-9-2-1-5-14-9/h3-4,9,14,18H,1-2,5-8H2,(H2,13,19)
InChIKeyRACXVNCLPJUEOP-UHFFFAOYSA-N
XLogP-0.87
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide (CID 106621384) is 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide is NC(=O)c1ccc(N(CCO)CC2CCCN2)nn1.
What is the InChIKey of 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide?
The InChIKey is RACXVNCLPJUEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c13-12(19)10-3-4-11(16-15-10)17(6-7-18)8-9-2-1-5-14-9/h3-4,9,14,18H,1-2,5-8H2,(H2,13,19).
What are the key properties of 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide?
6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 106621384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).