6-chloro-N-(2-imidazol-1-ylethyl)pyridazin-3-amine

C9H10ClN5 — CID 61324508

IUPAC6-chloro-N-(2-imidazol-1-ylethyl)pyridazin-3-amine
SMILESClc1ccc(NCCn2ccnc2)nn1
InChIInChI=1S/C9H10ClN5/c10-8-1-2-9(14-13-8)12-4-6-15-5-3-11-7-15/h1-3,5,7H,4,6H2,(H,12,14)
InChIKeyDQNFKSJAVKYDDX-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.44
Rot. Bonds4

About 6-chloro-N-(2-imidazol-1-ylethyl)pyridazin-3-amine

6-chloro-N-(2-imidazol-1-ylethyl)pyridazin-3-amine (PubChem CID 61324508) has the molecular formula C9H10ClN5 and a molecular weight of 223.67 g/mol. Its IUPAC name is 6-chloro-N-(2-imidazol-1-ylethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(2-imidazol-1-ylethyl)pyridazin-3-amine
PubChem CID61324508
Molecular FormulaC9H10ClN5
Molecular Weight223.67 g/mol
Exact Mass223.06
IUPAC Name6-chloro-N-(2-imidazol-1-ylethyl)pyridazin-3-amine
SMILESClc1ccc(NCCn2ccnc2)nn1
InChIInChI=1S/C9H10ClN5/c10-8-1-2-9(14-13-8)12-4-6-15-5-3-11-7-15/h1-3,5,7H,4,6H2,(H,12,14)
InChIKeyDQNFKSJAVKYDDX-UHFFFAOYSA-N
XLogP1.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-imidazol-1-ylethyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(2-imidazol-1-ylethyl)pyridazin-3-amine (CID 61324508) is 6-chloro-N-(2-imidazol-1-ylethyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(2-imidazol-1-ylethyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(2-imidazol-1-ylethyl)pyridazin-3-amine is Clc1ccc(NCCn2ccnc2)nn1.
What is the InChIKey of 6-chloro-N-(2-imidazol-1-ylethyl)pyridazin-3-amine?
The InChIKey is DQNFKSJAVKYDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5/c10-8-1-2-9(14-13-8)12-4-6-15-5-3-11-7-15/h1-3,5,7H,4,6H2,(H,12,14).
What are the key properties of 6-chloro-N-(2-imidazol-1-ylethyl)pyridazin-3-amine?
6-chloro-N-(2-imidazol-1-ylethyl)pyridazin-3-amine has a molecular weight of 223.67 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-imidazol-1-ylethyl)pyridazin-3-amine is sourced from PubChem (CID 61324508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).