2-phthalazin-5-ylpropan-2-amine

C11H13N3 — CID 117280883

IUPAC2-phthalazin-5-ylpropan-2-amine
SMILESCC(C)(N)c1cccc2cnncc12
InChIInChI=1S/C11H13N3/c1-11(2,12)10-5-3-4-8-6-13-14-7-9(8)10/h3-7H,12H2,1-2H3
InChIKeyHHBCGUDTVIWVHA-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.82
Rot. Bonds1

About 2-phthalazin-5-ylpropan-2-amine

2-phthalazin-5-ylpropan-2-amine (PubChem CID 117280883) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-phthalazin-5-ylpropan-2-amine.

Molecular Properties

Compound Name2-phthalazin-5-ylpropan-2-amine
PubChem CID117280883
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-phthalazin-5-ylpropan-2-amine
SMILESCC(C)(N)c1cccc2cnncc12
InChIInChI=1S/C11H13N3/c1-11(2,12)10-5-3-4-8-6-13-14-7-9(8)10/h3-7H,12H2,1-2H3
InChIKeyHHBCGUDTVIWVHA-UHFFFAOYSA-N
XLogP1.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phthalazin-5-ylpropan-2-amine?
The IUPAC name of 2-phthalazin-5-ylpropan-2-amine (CID 117280883) is 2-phthalazin-5-ylpropan-2-amine.
What is the SMILES notation for 2-phthalazin-5-ylpropan-2-amine?
The canonical SMILES for 2-phthalazin-5-ylpropan-2-amine is CC(C)(N)c1cccc2cnncc12.
What is the InChIKey of 2-phthalazin-5-ylpropan-2-amine?
The InChIKey is HHBCGUDTVIWVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-11(2,12)10-5-3-4-8-6-13-14-7-9(8)10/h3-7H,12H2,1-2H3.
What are the key properties of 2-phthalazin-5-ylpropan-2-amine?
2-phthalazin-5-ylpropan-2-amine has a molecular weight of 187.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phthalazin-5-ylpropan-2-amine is sourced from PubChem (CID 117280883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).