1-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethanamine;hydrochloride

C7H10ClN5 — CID 71755667

IUPAC1-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethanamine;hydrochloride
SMILESCC(N)c1nnc2ncccn12.Cl
InChIInChI=1S/C7H9N5.ClH/c1-5(8)6-10-11-7-9-3-2-4-12(6)7;/h2-5H,8H2,1H3;1H
InChIKeyCKCVBSFUEBZVOH-UHFFFAOYSA-N
MW199.65 g/mol
LogP0.57
Rot. Bonds1

About 1-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethanamine;hydrochloride

1-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethanamine;hydrochloride (PubChem CID 71755667) has the molecular formula C7H10ClN5 and a molecular weight of 199.65 g/mol. Its IUPAC name is 1-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethanamine;hydrochloride
PubChem CID71755667
Molecular FormulaC7H10ClN5
Molecular Weight199.65 g/mol
Exact Mass199.06
IUPAC Name1-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethanamine;hydrochloride
SMILESCC(N)c1nnc2ncccn12.Cl
InChIInChI=1S/C7H9N5.ClH/c1-5(8)6-10-11-7-9-3-2-4-12(6)7;/h2-5H,8H2,1H3;1H
InChIKeyCKCVBSFUEBZVOH-UHFFFAOYSA-N
XLogP0.57
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.65
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethanamine;hydrochloride?
The IUPAC name of 1-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethanamine;hydrochloride (CID 71755667) is 1-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethanamine;hydrochloride is CC(N)c1nnc2ncccn12.Cl.
What is the InChIKey of 1-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethanamine;hydrochloride?
The InChIKey is CKCVBSFUEBZVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5.ClH/c1-5(8)6-10-11-7-9-3-2-4-12(6)7;/h2-5H,8H2,1H3;1H.
What are the key properties of 1-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethanamine;hydrochloride?
1-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethanamine;hydrochloride has a molecular weight of 199.65 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 71755667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).