7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane

C13H15FN6O — CID 134071141

IUPAC7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane
SMILESFc1cnc(N2CCC3(CC(n4cnnc4)CO3)C2)nc1
InChIInChI=1S/C13H15FN6O/c14-10-4-15-12(16-5-10)19-2-1-13(7-19)3-11(6-21-13)20-8-17-18-9-20/h4-5,8-9,11H,1-3,6-7H2
InChIKeyAMIRYMFIFHCMGP-UHFFFAOYSA-N
MW290.30 g/mol
LogP0.82
Rot. Bonds2

About 7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane

7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 134071141) has the molecular formula C13H15FN6O and a molecular weight of 290.30 g/mol. Its IUPAC name is 7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane
PubChem CID134071141
Molecular FormulaC13H15FN6O
Molecular Weight290.30 g/mol
Exact Mass290.13
IUPAC Name7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane
SMILESFc1cnc(N2CCC3(CC(n4cnnc4)CO3)C2)nc1
InChIInChI=1S/C13H15FN6O/c14-10-4-15-12(16-5-10)19-2-1-13(7-19)3-11(6-21-13)20-8-17-18-9-20/h4-5,8-9,11H,1-3,6-7H2
InChIKeyAMIRYMFIFHCMGP-UHFFFAOYSA-N
XLogP0.82
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R,9R)-2-(5-fluoropyrimidin-2-yl)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane
CID 97475584
9-(5-Fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-9-azaspiro[4.5]decane
CID 131662077
(5R,9S)-2-(5-fluoropyrimidin-2-yl)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane
CID 97475601
(3S,5S)-N-(5-fluoropyrimidin-2-yl)-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97486505
(3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97486507
(3R)-8-(5-fluoropyrimidin-2-yl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 98776800
(3S)-8-(5-fluoropyrimidin-2-yl)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 98776801
(3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778029
(3R,5S)-N-(5-fluoropyrimidin-2-yl)-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778030
(3R,5R)-9-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-9-azaspiro[4.5]decane
CID 98778217
(3R,5S)-9-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-9-azaspiro[4.5]decane
CID 98778218
(3S,5R)-7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane
CID 98778554

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane (CID 134071141) is 7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane is Fc1cnc(N2CCC3(CC(n4cnnc4)CO3)C2)nc1.
What is the InChIKey of 7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is AMIRYMFIFHCMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN6O/c14-10-4-15-12(16-5-10)19-2-1-13(7-19)3-11(6-21-13)20-8-17-18-9-20/h4-5,8-9,11H,1-3,6-7H2.
What are the key properties of 7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane?
7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 290.30 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 134071141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).