2-[(3,6-dichloropyridazin-4-yl)amino]ethyl carbamate

C7H8Cl2N4O2 — CID 83204348

IUPAC2-[(3,6-dichloropyridazin-4-yl)amino]ethyl carbamate
SMILESNC(=O)OCCNc1cc(Cl)nnc1Cl
InChIInChI=1S/C7H8Cl2N4O2/c8-5-3-4(6(9)13-12-5)11-1-2-15-7(10)14/h3H,1-2H2,(H2,10,14)(H,11,12)
InChIKeyORMQPXVCPVSDPA-UHFFFAOYSA-N
MW251.07 g/mol
LogP1.29
Rot. Bonds4

About 2-[(3,6-dichloropyridazin-4-yl)amino]ethyl carbamate

2-[(3,6-dichloropyridazin-4-yl)amino]ethyl carbamate (PubChem CID 83204348) has the molecular formula C7H8Cl2N4O2 and a molecular weight of 251.07 g/mol. Its IUPAC name is 2-[(3,6-dichloropyridazin-4-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3,6-dichloropyridazin-4-yl)amino]ethyl carbamate
PubChem CID83204348
Molecular FormulaC7H8Cl2N4O2
Molecular Weight251.07 g/mol
Exact Mass250.00
IUPAC Name2-[(3,6-dichloropyridazin-4-yl)amino]ethyl carbamate
SMILESNC(=O)OCCNc1cc(Cl)nnc1Cl
InChIInChI=1S/C7H8Cl2N4O2/c8-5-3-4(6(9)13-12-5)11-1-2-15-7(10)14/h3H,1-2H2,(H2,10,14)(H,11,12)
InChIKeyORMQPXVCPVSDPA-UHFFFAOYSA-N
XLogP1.29
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,6-dichloro-N-propylpyridazin-4-amine
CID 23242655
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl carbamate
CID 83203473
3,6-dichloro-N-(4-propan-2-yloxybutyl)pyridazin-4-amine
CID 114137195
2-(4-chloro-2-cyanoanilino)ethyl carbamate
CID 83209624
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate
CID 114441285
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethyl carbamate
CID 83204103
2-(2-carbamothioyl-3-chloroanilino)ethyl carbamate
CID 83204135
5-amino-2-(2-carbamoyloxyethylamino)benzoic acid
CID 83203951
2-(pyridin-4-ylamino)ethyl carbamate
CID 83203137
3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide
CID 87380086
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethyl carbamate
CID 83203057
2-(2-amino-5-methoxyanilino)ethyl carbamate
CID 83202729

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dichloropyridazin-4-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(3,6-dichloropyridazin-4-yl)amino]ethyl carbamate (CID 83204348) is 2-[(3,6-dichloropyridazin-4-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(3,6-dichloropyridazin-4-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(3,6-dichloropyridazin-4-yl)amino]ethyl carbamate is NC(=O)OCCNc1cc(Cl)nnc1Cl.
What is the InChIKey of 2-[(3,6-dichloropyridazin-4-yl)amino]ethyl carbamate?
The InChIKey is ORMQPXVCPVSDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N4O2/c8-5-3-4(6(9)13-12-5)11-1-2-15-7(10)14/h3H,1-2H2,(H2,10,14)(H,11,12).
What are the key properties of 2-[(3,6-dichloropyridazin-4-yl)amino]ethyl carbamate?
2-[(3,6-dichloropyridazin-4-yl)amino]ethyl carbamate has a molecular weight of 251.07 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dichloropyridazin-4-yl)amino]ethyl carbamate is sourced from PubChem (CID 83204348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).