3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl acetate

C10H12N4O2 — CID 44577863

IUPAC3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl acetate
SMILESCC(=O)OCCCc1cnc2ncnn2c1
InChIInChI=1S/C10H12N4O2/c1-8(15)16-4-2-3-9-5-11-10-12-7-13-14(10)6-9/h5-7H,2-4H2,1H3
InChIKeySFTOCBJKKDZAFU-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.62
Rot. Bonds4

About 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl acetate

3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl acetate (PubChem CID 44577863) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl acetate.

Molecular Properties

Compound Name3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl acetate
PubChem CID44577863
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl acetate
SMILESCC(=O)OCCCc1cnc2ncnn2c1
InChIInChI=1S/C10H12N4O2/c1-8(15)16-4-2-3-9-5-11-10-12-7-13-14(10)6-9/h5-7H,2-4H2,1H3
InChIKeySFTOCBJKKDZAFU-UHFFFAOYSA-N
XLogP0.62
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Pyrazolo[1,5-a]pyrimidine-6-propanol, 6-acetate
CID 12773582
3-([1,2,4]Triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol
CID 15578993
6-(2-Oxopropyl)-1,2,4-triazolo[1,5-a]pyrimidine
CID 684192
3-{[1,2,3,4]Tetrazolo[1,5-a]pyrimidin-6-yl}propan-1-ol
CID 127013447
3-Pyrimidin-5-ylpropyl acetate
CID 138974434
3-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84806529
2-Methyl-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84810464
3-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]butanoic acid
CID 84810465
3-(2-Methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate
CID 12773584
3-(3-Amino-2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate
CID 19380187
[2-(Acetyloxymethyl)-4-(2-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)butyl] acetate
CID 68943262
3-[2-Methyl-4-(methylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propyl carbamate
CID 69869328

Frequently Asked Questions

What is the IUPAC name of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl acetate?
The IUPAC name of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl acetate (CID 44577863) is 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl acetate.
What is the SMILES notation for 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl acetate?
The canonical SMILES for 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl acetate is CC(=O)OCCCc1cnc2ncnn2c1.
What is the InChIKey of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl acetate?
The InChIKey is SFTOCBJKKDZAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-8(15)16-4-2-3-9-5-11-10-12-7-13-14(10)6-9/h5-7H,2-4H2,1H3.
What are the key properties of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl acetate?
3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl acetate has a molecular weight of 220.23 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl acetate is sourced from PubChem (CID 44577863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).