N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine

C16H22N4 — CID 60966697

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
SMILESCC(CNc1nncc2ccccc12)CN1CCCC1
InChIInChI=1S/C16H22N4/c1-13(12-20-8-4-5-9-20)10-17-16-15-7-3-2-6-14(15)11-18-19-16/h2-3,6-7,11,13H,4-5,8-10,12H2,1H3,(H,17,19)
InChIKeyMTFGLSXPYMRQJO-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.77
Rot. Bonds5

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine

N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine (PubChem CID 60966697) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
PubChem CID60966697
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
SMILESCC(CNc1nncc2ccccc12)CN1CCCC1
InChIInChI=1S/C16H22N4/c1-13(12-20-8-4-5-9-20)10-17-16-15-7-3-2-6-14(15)11-18-19-16/h2-3,6-7,11,13H,4-5,8-10,12H2,1H3,(H,17,19)
InChIKeyMTFGLSXPYMRQJO-UHFFFAOYSA-N
XLogP2.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine (CID 60966697) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine is CC(CNc1nncc2ccccc12)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine?
The InChIKey is MTFGLSXPYMRQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13(12-20-8-4-5-9-20)10-17-16-15-7-3-2-6-14(15)11-18-19-16/h2-3,6-7,11,13H,4-5,8-10,12H2,1H3,(H,17,19).
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine has a molecular weight of 270.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine is sourced from PubChem (CID 60966697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).