quinazolin-5-ylmethanamine

C9H9N3 — CID 131699542

IUPACquinazolin-5-ylmethanamine
SMILESNCc1cccc2ncncc12
InChIInChI=1S/C9H9N3/c10-4-7-2-1-3-9-8(7)5-11-6-12-9/h1-3,5-6H,4,10H2
InChIKeyWBZZKVUPFRXJKL-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.09
Rot. Bonds1

About quinazolin-5-ylmethanamine

quinazolin-5-ylmethanamine (PubChem CID 131699542) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is quinazolin-5-ylmethanamine.

Molecular Properties

Compound Namequinazolin-5-ylmethanamine
PubChem CID131699542
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Namequinazolin-5-ylmethanamine
SMILESNCc1cccc2ncncc12
InChIInChI=1S/C9H9N3/c10-4-7-2-1-3-9-8(7)5-11-6-12-9/h1-3,5-6H,4,10H2
InChIKeyWBZZKVUPFRXJKL-UHFFFAOYSA-N
XLogP1.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of quinazolin-5-ylmethanamine?
The IUPAC name of quinazolin-5-ylmethanamine (CID 131699542) is quinazolin-5-ylmethanamine.
What is the SMILES notation for quinazolin-5-ylmethanamine?
The canonical SMILES for quinazolin-5-ylmethanamine is NCc1cccc2ncncc12.
What is the InChIKey of quinazolin-5-ylmethanamine?
The InChIKey is WBZZKVUPFRXJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-4-7-2-1-3-9-8(7)5-11-6-12-9/h1-3,5-6H,4,10H2.
What are the key properties of quinazolin-5-ylmethanamine?
quinazolin-5-ylmethanamine has a molecular weight of 159.19 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinazolin-5-ylmethanamine is sourced from PubChem (CID 131699542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).