6-(4-azidobut-1-enyl)quinazolin-4-amine

C12H12N6 — CID 170486033

IUPAC6-(4-azidobut-1-enyl)quinazolin-4-amine
SMILES[N-]=[N+]=NCCC=Cc1ccc2ncnc(N)c2c1
InChIInChI=1S/C12H12N6/c13-12-10-7-9(3-1-2-6-17-18-14)4-5-11(10)15-8-16-12/h1,3-5,7-8H,2,6H2,(H2,13,15,16)
InChIKeyRUOYDJDWLCHVCL-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.93
Rot. Bonds4

About 6-(4-azidobut-1-enyl)quinazolin-4-amine

6-(4-azidobut-1-enyl)quinazolin-4-amine (PubChem CID 170486033) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-(4-azidobut-1-enyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(4-azidobut-1-enyl)quinazolin-4-amine
PubChem CID170486033
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name6-(4-azidobut-1-enyl)quinazolin-4-amine
SMILES[N-]=[N+]=NCCC=Cc1ccc2ncnc(N)c2c1
InChIInChI=1S/C12H12N6/c13-12-10-7-9(3-1-2-6-17-18-14)4-5-11(10)15-8-16-12/h1,3-5,7-8H,2,6H2,(H2,13,15,16)
InChIKeyRUOYDJDWLCHVCL-UHFFFAOYSA-N
XLogP2.93
TPSA100.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(4-azidobut-1-enyl)-2-fluoroaniline
CID 170484952
4-(4-azidobut-1-enyl)-2-hydroxybenzaldehyde
CID 170485123
4-(4-azidobut-1-enyl)-2-fluorobenzaldehyde
CID 170485168
6-(4-azidobut-1-enyl)-2-methyl-1,3-benzoxazole
CID 170485478
2-amino-5-(4-azidobut-1-enyl)benzonitrile
CID 170485219
3-(4-azidobut-1-enyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 170485479
5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine
CID 170485854
[2-amino-5-(4-azidobut-1-enyl)phenyl]-phenylmethanone
CID 170486274
4-(4-azidobut-1-enyl)-1-bromo-2-chlorobenzene
CID 170486314
4-(4-azidobut-1-enyl)-2-bromophenol
CID 170486320
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
1-[4-(4-azidobut-1-enyl)phenyl]ethanone
CID 170485177

Frequently Asked Questions

What is the IUPAC name of 6-(4-azidobut-1-enyl)quinazolin-4-amine?
The IUPAC name of 6-(4-azidobut-1-enyl)quinazolin-4-amine (CID 170486033) is 6-(4-azidobut-1-enyl)quinazolin-4-amine.
What is the SMILES notation for 6-(4-azidobut-1-enyl)quinazolin-4-amine?
The canonical SMILES for 6-(4-azidobut-1-enyl)quinazolin-4-amine is [N-]=[N+]=NCCC=Cc1ccc2ncnc(N)c2c1.
What is the InChIKey of 6-(4-azidobut-1-enyl)quinazolin-4-amine?
The InChIKey is RUOYDJDWLCHVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c13-12-10-7-9(3-1-2-6-17-18-14)4-5-11(10)15-8-16-12/h1,3-5,7-8H,2,6H2,(H2,13,15,16).
What are the key properties of 6-(4-azidobut-1-enyl)quinazolin-4-amine?
6-(4-azidobut-1-enyl)quinazolin-4-amine has a molecular weight of 240.27 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-azidobut-1-enyl)quinazolin-4-amine is sourced from PubChem (CID 170486033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).