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

C8H11N5 — CID 71778069

IUPAC3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine
SMILESNCCCc1cnc2ncnn2c1
InChIInChI=1S/C8H11N5/c9-3-1-2-7-4-10-8-11-6-12-13(8)5-7/h4-6H,1-3,9H2
InChIKeyFRMAJTQNTIPOIK-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.02
Rot. Bonds3

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

3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine (PubChem CID 71778069) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine.

Molecular Properties

Compound Name3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine
PubChem CID71778069
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine
SMILESNCCCc1cnc2ncnn2c1
InChIInChI=1S/C8H11N5/c9-3-1-2-7-4-10-8-11-6-12-13(8)5-7/h4-6H,1-3,9H2
InChIKeyFRMAJTQNTIPOIK-UHFFFAOYSA-N
XLogP0.02
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-([1,2,4]Triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol
CID 15578993
N~2~,N~4~,N~4~,5-tetramethyl-N~2~-[3-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidine-2,4-diamine
CID 50955622
5-ethyl-2-methyl-N-[1-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 50964673
5-ethyl-N,2-dimethyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 50976962
6-(2-Oxopropyl)-1,2,4-triazolo[1,5-a]pyrimidine
CID 684192
3-((1,2,4)Triazolo(1,5-a)pyrimidin-6-yl)propan-1-amine dihydrochloride
CID 91623794
5-ethyl-N-[(1-propyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
CID 72897270
1-(3-([1,2,4]Triazolo[1,5-a]pyrimidin-6-yl)propyl)-3-(tert-butyl)urea
CID 91813907
N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141267635
N-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 142791630
2-(1-Methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 142794012
6-(2-Azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 170784833

Frequently Asked Questions

What is the IUPAC name of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine?
The IUPAC name of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine (CID 71778069) is 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine.
What is the SMILES notation for 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine?
The canonical SMILES for 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine is NCCCc1cnc2ncnn2c1.
What is the InChIKey of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine?
The InChIKey is FRMAJTQNTIPOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c9-3-1-2-7-4-10-8-11-6-12-13(8)5-7/h4-6H,1-3,9H2.
What are the key properties of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine?
3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine has a molecular weight of 177.21 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine is sourced from PubChem (CID 71778069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).