3-chloro-6-propan-2-ylpyridazine;6-propan-2-ylpyridazin-3-amine

C14H20ClN5 — CID 159016378

IUPAC3-chloro-6-propan-2-ylpyridazine;6-propan-2-ylpyridazin-3-amine
SMILESCC(C)c1ccc(Cl)nn1.CC(C)c1ccc(N)nn1
InChIInChI=1S/C7H9ClN2.C7H11N3/c2*1-5(2)6-3-4-7(8)10-9-6/h3-5H,1-2H3;3-5H,1-2H3,(H2,8,10)
InChIKeyJTDIQUNHUJEUJQ-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.44
Rot. Bonds2

About 3-chloro-6-propan-2-ylpyridazine;6-propan-2-ylpyridazin-3-amine

3-chloro-6-propan-2-ylpyridazine;6-propan-2-ylpyridazin-3-amine (PubChem CID 159016378) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is 3-chloro-6-propan-2-ylpyridazine;6-propan-2-ylpyridazin-3-amine.

Molecular Properties

Compound Name3-chloro-6-propan-2-ylpyridazine;6-propan-2-ylpyridazin-3-amine
PubChem CID159016378
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name3-chloro-6-propan-2-ylpyridazine;6-propan-2-ylpyridazin-3-amine
SMILESCC(C)c1ccc(Cl)nn1.CC(C)c1ccc(N)nn1
InChIInChI=1S/C7H9ClN2.C7H11N3/c2*1-5(2)6-3-4-7(8)10-9-6/h3-5H,1-2H3;3-5H,1-2H3,(H2,8,10)
InChIKeyJTDIQUNHUJEUJQ-UHFFFAOYSA-N
XLogP3.44
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-propan-2-ylpyridazine;6-propan-2-ylpyridazin-3-amine?
The IUPAC name of 3-chloro-6-propan-2-ylpyridazine;6-propan-2-ylpyridazin-3-amine (CID 159016378) is 3-chloro-6-propan-2-ylpyridazine;6-propan-2-ylpyridazin-3-amine.
What is the SMILES notation for 3-chloro-6-propan-2-ylpyridazine;6-propan-2-ylpyridazin-3-amine?
The canonical SMILES for 3-chloro-6-propan-2-ylpyridazine;6-propan-2-ylpyridazin-3-amine is CC(C)c1ccc(Cl)nn1.CC(C)c1ccc(N)nn1.
What is the InChIKey of 3-chloro-6-propan-2-ylpyridazine;6-propan-2-ylpyridazin-3-amine?
The InChIKey is JTDIQUNHUJEUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2.C7H11N3/c2*1-5(2)6-3-4-7(8)10-9-6/h3-5H,1-2H3;3-5H,1-2H3,(H2,8,10).
What are the key properties of 3-chloro-6-propan-2-ylpyridazine;6-propan-2-ylpyridazin-3-amine?
3-chloro-6-propan-2-ylpyridazine;6-propan-2-ylpyridazin-3-amine has a molecular weight of 293.80 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-propan-2-ylpyridazine;6-propan-2-ylpyridazin-3-amine is sourced from PubChem (CID 159016378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).