5-amino-6-fluorotriazolo[1,5-a]quinazoline-3-carbonitrile

C10H5FN6 — CID 2804392

IUPAC5-amino-6-fluorotriazolo[1,5-a]quinazoline-3-carbonitrile
SMILESN#Cc1nnn2c1nc(N)c1c(F)cccc12
InChIInChI=1S/C10H5FN6/c11-5-2-1-3-7-8(5)9(13)14-10-6(4-12)15-16-17(7)10/h1-3H,(H2,13,14)
InChIKeyVMPGVHKBLOOJQA-UHFFFAOYSA-N
MW228.19 g/mol
LogP0.87
Rot. Bonds

About 5-amino-6-fluorotriazolo[1,5-a]quinazoline-3-carbonitrile

5-amino-6-fluorotriazolo[1,5-a]quinazoline-3-carbonitrile (PubChem CID 2804392) has the molecular formula C10H5FN6 and a molecular weight of 228.19 g/mol. Its IUPAC name is 5-amino-6-fluorotriazolo[1,5-a]quinazoline-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-fluorotriazolo[1,5-a]quinazoline-3-carbonitrile
PubChem CID2804392
Molecular FormulaC10H5FN6
Molecular Weight228.19 g/mol
Exact Mass228.06
IUPAC Name5-amino-6-fluorotriazolo[1,5-a]quinazoline-3-carbonitrile
SMILESN#Cc1nnn2c1nc(N)c1c(F)cccc12
InChIInChI=1S/C10H5FN6/c11-5-2-1-3-7-8(5)9(13)14-10-6(4-12)15-16-17(7)10/h1-3H,(H2,13,14)
InChIKeyVMPGVHKBLOOJQA-UHFFFAOYSA-N
XLogP0.87
TPSA92.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-fluorotriazolo[1,5-a]quinazoline-3-carbonitrile?
The IUPAC name of 5-amino-6-fluorotriazolo[1,5-a]quinazoline-3-carbonitrile (CID 2804392) is 5-amino-6-fluorotriazolo[1,5-a]quinazoline-3-carbonitrile.
What is the SMILES notation for 5-amino-6-fluorotriazolo[1,5-a]quinazoline-3-carbonitrile?
The canonical SMILES for 5-amino-6-fluorotriazolo[1,5-a]quinazoline-3-carbonitrile is N#Cc1nnn2c1nc(N)c1c(F)cccc12.
What is the InChIKey of 5-amino-6-fluorotriazolo[1,5-a]quinazoline-3-carbonitrile?
The InChIKey is VMPGVHKBLOOJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FN6/c11-5-2-1-3-7-8(5)9(13)14-10-6(4-12)15-16-17(7)10/h1-3H,(H2,13,14).
What are the key properties of 5-amino-6-fluorotriazolo[1,5-a]quinazoline-3-carbonitrile?
5-amino-6-fluorotriazolo[1,5-a]quinazoline-3-carbonitrile has a molecular weight of 228.19 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-fluorotriazolo[1,5-a]quinazoline-3-carbonitrile is sourced from PubChem (CID 2804392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).