2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine

C8H11N5 — CID 84767352

IUPAC2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine
SMILESCC(CN)c1cnc2ncnn2c1
InChIInChI=1S/C8H11N5/c1-6(2-9)7-3-10-8-11-5-12-13(8)4-7/h3-6H,2,9H2,1H3
InChIKeyWCCBNSLNJKXVCA-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.19
Rot. Bonds2

About 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine

2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine (PubChem CID 84767352) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine.

Molecular Properties

Compound Name2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine
PubChem CID84767352
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine
SMILESCC(CN)c1cnc2ncnn2c1
InChIInChI=1S/C8H11N5/c1-6(2-9)7-3-10-8-11-5-12-13(8)4-7/h3-6H,2,9H2,1H3
InChIKeyWCCBNSLNJKXVCA-UHFFFAOYSA-N
XLogP0.19
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine with MolForge

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Related Compounds

2-(methylamino)-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol
CID 84772647
2-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl)propan-1-amine
CID 112713429
2-amino-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 84767265
2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-2-amine
CID 84767353
6-(2-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 159341106
2-(1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 84764977
3-pyrazolo[1,5-a]pyrimidin-6-ylbutan-1-amine
CID 84771579
2-(6-methyl-3-pyridinyl)propan-1-amine
CID 81021181
2-[1-(oxolan-3-yl)pyrazol-4-yl]propan-1-amine
CID 105449225
8-ethyl-6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 174345641
2-(6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanamine
CID 84673413
2-[1-(thian-4-yl)pyrazol-4-yl]propan-1-amine
CID 105483318

Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine?
The IUPAC name of 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine (CID 84767352) is 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine.
What is the SMILES notation for 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine?
The canonical SMILES for 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine is CC(CN)c1cnc2ncnn2c1.
What is the InChIKey of 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine?
The InChIKey is WCCBNSLNJKXVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-6(2-9)7-3-10-8-11-5-12-13(8)4-7/h3-6H,2,9H2,1H3.
What are the key properties of 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine?
2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine has a molecular weight of 177.21 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine is sourced from PubChem (CID 84767352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).