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

C8H13Cl2N5 — CID 91623794

IUPAC3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCc1cnc2ncnn2c1
InChIInChI=1S/C8H11N5.2ClH/c9-3-1-2-7-4-10-8-11-6-12-13(8)5-7;;/h4-6H,1-3,9H2;2*1H
InChIKeyIORZZEUAPPDUGW-UHFFFAOYSA-N
MW250.13 g/mol
LogP0.86
Rot. Bonds3

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

3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine;dihydrochloride (PubChem CID 91623794) has the molecular formula C8H13Cl2N5 and a molecular weight of 250.13 g/mol. Its IUPAC name is 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine;dihydrochloride
PubChem CID91623794
Molecular FormulaC8H13Cl2N5
Molecular Weight250.13 g/mol
Exact Mass249.05
IUPAC Name3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCc1cnc2ncnn2c1
InChIInChI=1S/C8H11N5.2ClH/c9-3-1-2-7-4-10-8-11-6-12-13(8)5-7;;/h4-6H,1-3,9H2;2*1H
InChIKeyIORZZEUAPPDUGW-UHFFFAOYSA-N
XLogP0.86
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine;dihydrochloride?
The IUPAC name of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine;dihydrochloride (CID 91623794) is 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine;dihydrochloride is Cl.Cl.NCCCc1cnc2ncnn2c1.
What is the InChIKey of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine;dihydrochloride?
The InChIKey is IORZZEUAPPDUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5.2ClH/c9-3-1-2-7-4-10-8-11-6-12-13(8)5-7;;/h4-6H,1-3,9H2;2*1H.
What are the key properties of 3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine;dihydrochloride?
3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-amine;dihydrochloride has a molecular weight of 250.13 g/mol, XLogP of 0.86, 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;dihydrochloride is sourced from PubChem (CID 91623794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).