1-phthalazin-1-ylpropan-2-amine

C11H13N3 — CID 63196777

IUPAC1-phthalazin-1-ylpropan-2-amine
SMILESCC(N)Cc1nncc2ccccc12
InChIInChI=1S/C11H13N3/c1-8(12)6-11-10-5-3-2-4-9(10)7-13-14-11/h2-5,7-8H,6,12H2,1H3
InChIKeyNIFZCRBCJZDBGG-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.52
Rot. Bonds2

About 1-phthalazin-1-ylpropan-2-amine

1-phthalazin-1-ylpropan-2-amine (PubChem CID 63196777) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-phthalazin-1-ylpropan-2-amine.

Molecular Properties

Compound Name1-phthalazin-1-ylpropan-2-amine
PubChem CID63196777
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-phthalazin-1-ylpropan-2-amine
SMILESCC(N)Cc1nncc2ccccc12
InChIInChI=1S/C11H13N3/c1-8(12)6-11-10-5-3-2-4-9(10)7-13-14-11/h2-5,7-8H,6,12H2,1H3
InChIKeyNIFZCRBCJZDBGG-UHFFFAOYSA-N
XLogP1.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phthalazin-1-ylpropan-2-amine?
The IUPAC name of 1-phthalazin-1-ylpropan-2-amine (CID 63196777) is 1-phthalazin-1-ylpropan-2-amine.
What is the SMILES notation for 1-phthalazin-1-ylpropan-2-amine?
The canonical SMILES for 1-phthalazin-1-ylpropan-2-amine is CC(N)Cc1nncc2ccccc12.
What is the InChIKey of 1-phthalazin-1-ylpropan-2-amine?
The InChIKey is NIFZCRBCJZDBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-8(12)6-11-10-5-3-2-4-9(10)7-13-14-11/h2-5,7-8H,6,12H2,1H3.
What are the key properties of 1-phthalazin-1-ylpropan-2-amine?
1-phthalazin-1-ylpropan-2-amine has a molecular weight of 187.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phthalazin-1-ylpropan-2-amine is sourced from PubChem (CID 63196777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).