5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine;dihydrochloride

C7H14Cl2N4 — CID 53444525

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1nnc2n1CCCC2
InChIInChI=1S/C7H12N4.2ClH/c8-5-7-10-9-6-3-1-2-4-11(6)7;;/h1-5,8H2;2*1H
InChIKeyMXTPRJYAQUWPAG-UHFFFAOYSA-N
MW225.12 g/mol
LogP0.92
Rot. Bonds1

About 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine;dihydrochloride

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine;dihydrochloride (PubChem CID 53444525) has the molecular formula C7H14Cl2N4 and a molecular weight of 225.12 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine;dihydrochloride
PubChem CID53444525
Molecular FormulaC7H14Cl2N4
Molecular Weight225.12 g/mol
Exact Mass224.06
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1nnc2n1CCCC2
InChIInChI=1S/C7H12N4.2ClH/c8-5-7-10-9-6-3-1-2-4-11(6)7;;/h1-5,8H2;2*1H
InChIKeyMXTPRJYAQUWPAG-UHFFFAOYSA-N
XLogP0.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine;dihydrochloride?
The IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine;dihydrochloride (CID 53444525) is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine;dihydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine;dihydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine;dihydrochloride is Cl.Cl.NCc1nnc2n1CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine;dihydrochloride?
The InChIKey is MXTPRJYAQUWPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.2ClH/c8-5-7-10-9-6-3-1-2-4-11(6)7;;/h1-5,8H2;2*1H.
What are the key properties of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine;dihydrochloride?
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine;dihydrochloride has a molecular weight of 225.12 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethanamine;dihydrochloride is sourced from PubChem (CID 53444525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).