3-[4-(3-(18F)fluoropropyl)triazol-1-yl]propanamide

C8H13FN4O — CID 139212650

IUPAC3-[4-(3-(18F)fluoropropyl)triazol-1-yl]propanamide
SMILESNC(=O)CCn1cc(CCC[18F])nn1
InChIInChI=1S/C8H13FN4O/c9-4-1-2-7-6-13(12-11-7)5-3-8(10)14/h6H,1-5H2,(H2,10,14)/i9-1
InChIKeyDODGZLZEFVICNC-RVRFMXCPSA-N
MW199.22 g/mol
LogP0.06
Rot. Bonds6

About 3-[4-(3-(18F)fluoropropyl)triazol-1-yl]propanamide

3-[4-(3-(18F)fluoropropyl)triazol-1-yl]propanamide (PubChem CID 139212650) has the molecular formula C8H13FN4O and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-[4-(3-(18F)fluoropropyl)triazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-(3-(18F)fluoropropyl)triazol-1-yl]propanamide
PubChem CID139212650
Molecular FormulaC8H13FN4O
Molecular Weight199.22 g/mol
Exact Mass199.11
IUPAC Name3-[4-(3-(18F)fluoropropyl)triazol-1-yl]propanamide
SMILESNC(=O)CCn1cc(CCC[18F])nn1
InChIInChI=1S/C8H13FN4O/c9-4-1-2-7-6-13(12-11-7)5-3-8(10)14/h6H,1-5H2,(H2,10,14)/i9-1
InChIKeyDODGZLZEFVICNC-RVRFMXCPSA-N
XLogP0.06
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Pentyltriazol-1-yl)acetamide
CID 70692869
1-[4-(3-Fluoropropyl)triazol-1-yl]butan-2-one
CID 59247921
1-[4-(3-Fluoropropyl)triazol-1-yl]propan-2-one
CID 59247933
2-[4-(3-Fluoropropyl)triazol-1-yl]acetamide
CID 70304467
N-butyl-3-[1-(2-fluoroethyl)triazol-4-yl]propanamide
CID 126590542
3-[1-(2-fluoroethyl)triazol-4-yl]-N-pentylpropanamide
CID 126590625
5-[4-(3-fluoropropyl)triazol-1-yl]-N-methylpentanamide
CID 135189110
2-[4-(3-fluoropropyl)triazol-1-yl]-N-nonan-5-ylacetamide
CID 135189115
4-[[2-[4-(3-Fluoropropyl)triazol-1-yl]acetyl]amino]butylcarbamic acid
CID 135189229
3-[1-(2-Amino-2-oxoethyl)triazol-4-yl]propanamide
CID 171936262
4-[1-(2,2,2-Trifluoroethyl)triazol-4-yl]butan-1-amine
CID 104539155
4-[1-(3,3,3-Trifluoropropyl)triazol-4-yl]butan-1-amine
CID 104539267

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-(18F)fluoropropyl)triazol-1-yl]propanamide?
The IUPAC name of 3-[4-(3-(18F)fluoropropyl)triazol-1-yl]propanamide (CID 139212650) is 3-[4-(3-(18F)fluoropropyl)triazol-1-yl]propanamide.
What is the SMILES notation for 3-[4-(3-(18F)fluoropropyl)triazol-1-yl]propanamide?
The canonical SMILES for 3-[4-(3-(18F)fluoropropyl)triazol-1-yl]propanamide is NC(=O)CCn1cc(CCC[18F])nn1.
What is the InChIKey of 3-[4-(3-(18F)fluoropropyl)triazol-1-yl]propanamide?
The InChIKey is DODGZLZEFVICNC-RVRFMXCPSA-N. The full InChI is InChI=1S/C8H13FN4O/c9-4-1-2-7-6-13(12-11-7)5-3-8(10)14/h6H,1-5H2,(H2,10,14)/i9-1.
What are the key properties of 3-[4-(3-(18F)fluoropropyl)triazol-1-yl]propanamide?
3-[4-(3-(18F)fluoropropyl)triazol-1-yl]propanamide has a molecular weight of 199.22 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-(18F)fluoropropyl)triazol-1-yl]propanamide is sourced from PubChem (CID 139212650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).