4-chloro-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-amine;propane

C10H16ClN3 — CID 166460059

IUPAC4-chloro-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-amine;propane
SMILESCCC.Nc1nnc(Cl)c2c1CCC2
InChIInChI=1S/C7H8ClN3.C3H8/c8-6-4-2-1-3-5(4)7(9)11-10-6;1-3-2/h1-3H2,(H2,9,11);3H2,1-2H3
InChIKeyRYSPESJDQGJWHP-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.62
Rot. Bonds

About 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-amine;propane

4-chloro-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-amine;propane (PubChem CID 166460059) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-amine;propane.

Molecular Properties

Compound Name4-chloro-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-amine;propane
PubChem CID166460059
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name4-chloro-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-amine;propane
SMILESCCC.Nc1nnc(Cl)c2c1CCC2
InChIInChI=1S/C7H8ClN3.C3H8/c8-6-4-2-1-3-5(4)7(9)11-10-6;1-3-2/h1-3H2,(H2,9,11);3H2,1-2H3
InChIKeyRYSPESJDQGJWHP-UHFFFAOYSA-N
XLogP2.62
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-amine;propane?
The IUPAC name of 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-amine;propane (CID 166460059) is 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-amine;propane.
What is the SMILES notation for 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-amine;propane?
The canonical SMILES for 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-amine;propane is CCC.Nc1nnc(Cl)c2c1CCC2.
What is the InChIKey of 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-amine;propane?
The InChIKey is RYSPESJDQGJWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3.C3H8/c8-6-4-2-1-3-5(4)7(9)11-10-6;1-3-2/h1-3H2,(H2,9,11);3H2,1-2H3.
What are the key properties of 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-amine;propane?
4-chloro-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-amine;propane has a molecular weight of 213.71 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-dihydro-5H-cyclopenta[d]pyridazin-1-amine;propane is sourced from PubChem (CID 166460059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).