2-hydroxyethyl N-(pyridazin-3-ylmethyl)carbamate

C8H11N3O3 — CID 106897873

IUPAC2-hydroxyethyl N-(pyridazin-3-ylmethyl)carbamate
SMILESO=C(NCc1cccnn1)OCCO
InChIInChI=1S/C8H11N3O3/c12-4-5-14-8(13)9-6-7-2-1-3-10-11-7/h1-3,12H,4-6H2,(H,9,13)
InChIKeyOXZJTNDJBSIBQQ-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.30
Rot. Bonds4

About 2-hydroxyethyl N-(pyridazin-3-ylmethyl)carbamate

2-hydroxyethyl N-(pyridazin-3-ylmethyl)carbamate (PubChem CID 106897873) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-hydroxyethyl N-(pyridazin-3-ylmethyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(pyridazin-3-ylmethyl)carbamate
PubChem CID106897873
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-hydroxyethyl N-(pyridazin-3-ylmethyl)carbamate
SMILESO=C(NCc1cccnn1)OCCO
InChIInChI=1S/C8H11N3O3/c12-4-5-14-8(13)9-6-7-2-1-3-10-11-7/h1-3,12H,4-6H2,(H,9,13)
InChIKeyOXZJTNDJBSIBQQ-UHFFFAOYSA-N
XLogP-0.30
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472
2-hydroxyethyl N-[(3-ethyl-2-pyridinyl)methyl]carbamate
CID 82744779
1-benzyl-3-(pyridazin-3-ylmethyl)urea
CID 106831656
3-amino-2,2-dimethyl-N-(pyridazin-3-ylmethyl)propanamide
CID 106895482
2-amino-2-methyl-N-(pyridazin-3-ylmethyl)butanamide
CID 106896008
4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide
CID 106894633
3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106896014
2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide
CID 106894537
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridazine-3-carboxamide
CID 106897771
2-chloro-N-(pyridazin-3-ylmethyl)propanamide
CID 106895464
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106897774
2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide
CID 106896139

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(pyridazin-3-ylmethyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(pyridazin-3-ylmethyl)carbamate (CID 106897873) is 2-hydroxyethyl N-(pyridazin-3-ylmethyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(pyridazin-3-ylmethyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(pyridazin-3-ylmethyl)carbamate is O=C(NCc1cccnn1)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(pyridazin-3-ylmethyl)carbamate?
The InChIKey is OXZJTNDJBSIBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-4-5-14-8(13)9-6-7-2-1-3-10-11-7/h1-3,12H,4-6H2,(H,9,13).
What are the key properties of 2-hydroxyethyl N-(pyridazin-3-ylmethyl)carbamate?
2-hydroxyethyl N-(pyridazin-3-ylmethyl)carbamate has a molecular weight of 197.19 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(pyridazin-3-ylmethyl)carbamate is sourced from PubChem (CID 106897873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).