5-iodophthalazin-6-amine

C8H6IN3 — CID 167725767

IUPAC5-iodophthalazin-6-amine
SMILESNc1ccc2cnncc2c1I
InChIInChI=1S/C8H6IN3/c9-8-6-4-12-11-3-5(6)1-2-7(8)10/h1-4H,10H2
InChIKeyXLIRUPVFFKBPTH-UHFFFAOYSA-N
MW271.06 g/mol
LogP1.82
Rot. Bonds

About 5-iodophthalazin-6-amine

5-iodophthalazin-6-amine (PubChem CID 167725767) has the molecular formula C8H6IN3 and a molecular weight of 271.06 g/mol. Its IUPAC name is 5-iodophthalazin-6-amine.

Molecular Properties

Compound Name5-iodophthalazin-6-amine
PubChem CID167725767
Molecular FormulaC8H6IN3
Molecular Weight271.06 g/mol
Exact Mass270.96
IUPAC Name5-iodophthalazin-6-amine
SMILESNc1ccc2cnncc2c1I
InChIInChI=1S/C8H6IN3/c9-8-6-4-12-11-3-5(6)1-2-7(8)10/h1-4H,10H2
InChIKeyXLIRUPVFFKBPTH-UHFFFAOYSA-N
XLogP1.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.06
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

phthalazine-5,6-diol
CID 137192823
pyrido[3,4-f]phthalazine
CID 122577314
5-iodo-2-(trifluoromethyl)quinolin-6-amine
CID 162440825
3,4-difluoro-2-iodoaniline;hydrochloride
CID 165431084
pyridazino[4,5-d]pyridazine
CID 15606212
phthalazin-5-ylhydrazine
CID 119093508
6-iodopyridine-2,3-diamine
CID 23435465
4-iodo-1,8-naphthyridin-3-amine
CID 169226479
4-fluoro-2-iodobenzene-1,3-diamine
CID 135395533
naphthalene-1,2,7-triamine
CID 19078044
7-chloro-8-iodoisoquinoline
CID 142740347
2,4-difluoro-5-iodopyrimidine
CID 10263747

Frequently Asked Questions

What is the IUPAC name of 5-iodophthalazin-6-amine?
The IUPAC name of 5-iodophthalazin-6-amine (CID 167725767) is 5-iodophthalazin-6-amine.
What is the SMILES notation for 5-iodophthalazin-6-amine?
The canonical SMILES for 5-iodophthalazin-6-amine is Nc1ccc2cnncc2c1I.
What is the InChIKey of 5-iodophthalazin-6-amine?
The InChIKey is XLIRUPVFFKBPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6IN3/c9-8-6-4-12-11-3-5(6)1-2-7(8)10/h1-4H,10H2.
What are the key properties of 5-iodophthalazin-6-amine?
5-iodophthalazin-6-amine has a molecular weight of 271.06 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodophthalazin-6-amine is sourced from PubChem (CID 167725767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).