1-(8-fluoroquinazolin-4-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol

C14H13FN6O — CID 167878805

IUPAC1-(8-fluoroquinazolin-4-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol
SMILESCn1nncc1C1(O)CN(c2ncnc3c(F)cccc23)C1
InChIInChI=1S/C14H13FN6O/c1-20-11(5-18-19-20)14(22)6-21(7-14)13-9-3-2-4-10(15)12(9)16-8-17-13/h2-5,8,22H,6-7H2,1H3
InChIKeyUPPBSIWLVZFVFV-UHFFFAOYSA-N
MW300.30 g/mol
LogP0.61
Rot. Bonds2

About 1-(8-fluoroquinazolin-4-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol

1-(8-fluoroquinazolin-4-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol (PubChem CID 167878805) has the molecular formula C14H13FN6O and a molecular weight of 300.30 g/mol. Its IUPAC name is 1-(8-fluoroquinazolin-4-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(8-fluoroquinazolin-4-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol
PubChem CID167878805
Molecular FormulaC14H13FN6O
Molecular Weight300.30 g/mol
Exact Mass300.11
IUPAC Name1-(8-fluoroquinazolin-4-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol
SMILESCn1nncc1C1(O)CN(c2ncnc3c(F)cccc23)C1
InChIInChI=1S/C14H13FN6O/c1-20-11(5-18-19-20)14(22)6-21(7-14)13-9-3-2-4-10(15)12(9)16-8-17-13/h2-5,8,22H,6-7H2,1H3
InChIKeyUPPBSIWLVZFVFV-UHFFFAOYSA-N
XLogP0.61
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluoro-1,3-benzoxazol-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol
CID 138008313
8-(8-fluoroquinazolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 154740101
1-(4-ethyl-6-methylpyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol
CID 138008308
8-fluoro-4-methylsulfanylquinazoline
CID 130639671
3,3-dimethyl-1-(3-methyltriazol-4-yl)cyclopentan-1-ol
CID 114685262
3-[(3R)-1-(8-fluoroquinazolin-4-yl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136691027
(3R)-1-(8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 175988167
2-[6-chloro-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-8-fluoroquinazolin-7-yl]-3-fluorophenol
CID 157251670
3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
CID 114685052
N,N-diethyl-8-fluoroquinazolin-4-amine
CID 110433527
[(3aR,6aR)-5-(8-fluoroquinazolin-4-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 154849856
1-(8-fluoroquinolin-4-yl)-3-(2H-triazol-4-yl)piperidin-3-ol
CID 154756639

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoroquinazolin-4-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol?
The IUPAC name of 1-(8-fluoroquinazolin-4-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol (CID 167878805) is 1-(8-fluoroquinazolin-4-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol.
What is the SMILES notation for 1-(8-fluoroquinazolin-4-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol?
The canonical SMILES for 1-(8-fluoroquinazolin-4-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol is Cn1nncc1C1(O)CN(c2ncnc3c(F)cccc23)C1.
What is the InChIKey of 1-(8-fluoroquinazolin-4-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol?
The InChIKey is UPPBSIWLVZFVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6O/c1-20-11(5-18-19-20)14(22)6-21(7-14)13-9-3-2-4-10(15)12(9)16-8-17-13/h2-5,8,22H,6-7H2,1H3.
What are the key properties of 1-(8-fluoroquinazolin-4-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol?
1-(8-fluoroquinazolin-4-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol has a molecular weight of 300.30 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoroquinazolin-4-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol is sourced from PubChem (CID 167878805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).