5-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]quinazolin-4-amine

C14H13FN6O — CID 120921078

IUPAC5-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]quinazolin-4-amine
SMILESFc1cccc2ncnc(N[C@H]3COC[C@H]3n3ccnn3)c12
InChIInChI=1S/C14H13FN6O/c15-9-2-1-3-10-13(9)14(17-8-16-10)19-11-6-22-7-12(11)21-5-4-18-20-21/h1-5,8,11-12H,6-7H2,(H,16,17,19)/t11-,12+/m0/s1
InChIKeyHXVANILYCNCAEF-NWDGAFQWSA-N
MW300.30 g/mol
LogP1.41
Rot. Bonds3

About 5-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]quinazolin-4-amine

5-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]quinazolin-4-amine (PubChem CID 120921078) has the molecular formula C14H13FN6O and a molecular weight of 300.30 g/mol. Its IUPAC name is 5-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]quinazolin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]quinazolin-4-amine
PubChem CID120921078
Molecular FormulaC14H13FN6O
Molecular Weight300.30 g/mol
Exact Mass300.11
IUPAC Name5-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]quinazolin-4-amine
SMILESFc1cccc2ncnc(N[C@H]3COC[C@H]3n3ccnn3)c12
InChIInChI=1S/C14H13FN6O/c15-9-2-1-3-10-13(9)14(17-8-16-10)19-11-6-22-7-12(11)21-5-4-18-20-21/h1-5,8,11-12H,6-7H2,(H,16,17,19)/t11-,12+/m0/s1
InChIKeyHXVANILYCNCAEF-NWDGAFQWSA-N
XLogP1.41
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]quinazolin-4-amine?
The IUPAC name of 5-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]quinazolin-4-amine (CID 120921078) is 5-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]quinazolin-4-amine.
What is the SMILES notation for 5-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]quinazolin-4-amine?
The canonical SMILES for 5-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]quinazolin-4-amine is Fc1cccc2ncnc(N[C@H]3COC[C@H]3n3ccnn3)c12.
What is the InChIKey of 5-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]quinazolin-4-amine?
The InChIKey is HXVANILYCNCAEF-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H13FN6O/c15-9-2-1-3-10-13(9)14(17-8-16-10)19-11-6-22-7-12(11)21-5-4-18-20-21/h1-5,8,11-12H,6-7H2,(H,16,17,19)/t11-,12+/m0/s1.
What are the key properties of 5-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]quinazolin-4-amine?
5-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]quinazolin-4-amine has a molecular weight of 300.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]quinazolin-4-amine is sourced from PubChem (CID 120921078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).