6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridazin-3-amine

C10H12ClN5 — CID 61210153

IUPAC6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridazin-3-amine
SMILESCn1ccnc1CCNc1ccc(Cl)nn1
InChIInChI=1S/C10H12ClN5/c1-16-7-6-13-10(16)4-5-12-9-3-2-8(11)14-15-9/h2-3,6-7H,4-5H2,1H3,(H,12,15)
InChIKeyHLGDIWZXLNZWNG-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.52
Rot. Bonds4

About 6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridazin-3-amine

6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridazin-3-amine (PubChem CID 61210153) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridazin-3-amine
PubChem CID61210153
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridazin-3-amine
SMILESCn1ccnc1CCNc1ccc(Cl)nn1
InChIInChI=1S/C10H12ClN5/c1-16-7-6-13-10(16)4-5-12-9-3-2-8(11)14-15-9/h2-3,6-7H,4-5H2,1H3,(H,12,15)
InChIKeyHLGDIWZXLNZWNG-UHFFFAOYSA-N
XLogP1.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.52
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-(1-methylimidazol-2-yl)ethyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridazin-3-amine (CID 61210153) is 6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridazin-3-amine is Cn1ccnc1CCNc1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridazin-3-amine?
The InChIKey is HLGDIWZXLNZWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-16-7-6-13-10(16)4-5-12-9-3-2-8(11)14-15-9/h2-3,6-7H,4-5H2,1H3,(H,12,15).
What are the key properties of 6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridazin-3-amine?
6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridazin-3-amine has a molecular weight of 237.69 g/mol, XLogP of 1.52, 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-(1-methylimidazol-2-yl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 61210153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).