N-(1H-indol-5-yl)phthalazin-1-amine

C16H12N4 — CID 59373118

IUPACN-(1H-indol-5-yl)phthalazin-1-amine
SMILESc1ccc2c(Nc3ccc4[nH]ccc4c3)nncc2c1
InChIInChI=1S/C16H12N4/c1-2-4-14-12(3-1)10-18-20-16(14)19-13-5-6-15-11(9-13)7-8-17-15/h1-10,17H,(H,19,20)
InChIKeyXRSNWMNNTXBLFU-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.85
Rot. Bonds2

About N-(1H-indol-5-yl)phthalazin-1-amine

N-(1H-indol-5-yl)phthalazin-1-amine (PubChem CID 59373118) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(1H-indol-5-yl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(1H-indol-5-yl)phthalazin-1-amine
PubChem CID59373118
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC NameN-(1H-indol-5-yl)phthalazin-1-amine
SMILESc1ccc2c(Nc3ccc4[nH]ccc4c3)nncc2c1
InChIInChI=1S/C16H12N4/c1-2-4-14-12(3-1)10-18-20-16(14)19-13-5-6-15-11(9-13)7-8-17-15/h1-10,17H,(H,19,20)
InChIKeyXRSNWMNNTXBLFU-UHFFFAOYSA-N
XLogP3.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)phthalazin-1-amine?
The IUPAC name of N-(1H-indol-5-yl)phthalazin-1-amine (CID 59373118) is N-(1H-indol-5-yl)phthalazin-1-amine.
What is the SMILES notation for N-(1H-indol-5-yl)phthalazin-1-amine?
The canonical SMILES for N-(1H-indol-5-yl)phthalazin-1-amine is c1ccc2c(Nc3ccc4[nH]ccc4c3)nncc2c1.
What is the InChIKey of N-(1H-indol-5-yl)phthalazin-1-amine?
The InChIKey is XRSNWMNNTXBLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-2-4-14-12(3-1)10-18-20-16(14)19-13-5-6-15-11(9-13)7-8-17-15/h1-10,17H,(H,19,20).
What are the key properties of N-(1H-indol-5-yl)phthalazin-1-amine?
N-(1H-indol-5-yl)phthalazin-1-amine has a molecular weight of 260.30 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)phthalazin-1-amine is sourced from PubChem (CID 59373118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).