4-(4-iodopyrazol-1-yl)quinazolin-6-amine

C11H8IN5 — CID 64589919

IUPAC4-(4-iodopyrazol-1-yl)quinazolin-6-amine
SMILESNc1ccc2ncnc(-n3cc(I)cn3)c2c1
InChIInChI=1S/C11H8IN5/c12-7-4-16-17(5-7)11-9-3-8(13)1-2-10(9)14-6-15-11/h1-6H,13H2
InChIKeyLWRQJUPBBIZTHO-UHFFFAOYSA-N
MW337.12 g/mol
LogP2.00
Rot. Bonds1

About 4-(4-iodopyrazol-1-yl)quinazolin-6-amine

4-(4-iodopyrazol-1-yl)quinazolin-6-amine (PubChem CID 64589919) has the molecular formula C11H8IN5 and a molecular weight of 337.12 g/mol. Its IUPAC name is 4-(4-iodopyrazol-1-yl)quinazolin-6-amine.

Molecular Properties

Compound Name4-(4-iodopyrazol-1-yl)quinazolin-6-amine
PubChem CID64589919
Molecular FormulaC11H8IN5
Molecular Weight337.12 g/mol
Exact Mass336.98
IUPAC Name4-(4-iodopyrazol-1-yl)quinazolin-6-amine
SMILESNc1ccc2ncnc(-n3cc(I)cn3)c2c1
InChIInChI=1S/C11H8IN5/c12-7-4-16-17(5-7)11-9-3-8(13)1-2-10(9)14-6-15-11/h1-6H,13H2
InChIKeyLWRQJUPBBIZTHO-UHFFFAOYSA-N
XLogP2.00
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.12
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-iodopyrazol-1-yl)quinazolin-6-amine?
The IUPAC name of 4-(4-iodopyrazol-1-yl)quinazolin-6-amine (CID 64589919) is 4-(4-iodopyrazol-1-yl)quinazolin-6-amine.
What is the SMILES notation for 4-(4-iodopyrazol-1-yl)quinazolin-6-amine?
The canonical SMILES for 4-(4-iodopyrazol-1-yl)quinazolin-6-amine is Nc1ccc2ncnc(-n3cc(I)cn3)c2c1.
What is the InChIKey of 4-(4-iodopyrazol-1-yl)quinazolin-6-amine?
The InChIKey is LWRQJUPBBIZTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8IN5/c12-7-4-16-17(5-7)11-9-3-8(13)1-2-10(9)14-6-15-11/h1-6H,13H2.
What are the key properties of 4-(4-iodopyrazol-1-yl)quinazolin-6-amine?
4-(4-iodopyrazol-1-yl)quinazolin-6-amine has a molecular weight of 337.12 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodopyrazol-1-yl)quinazolin-6-amine is sourced from PubChem (CID 64589919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).