2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine;dihydrochloride

C7H14Cl2N4 — CID 86775255

IUPAC2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1nnc2n1CCC2
InChIInChI=1S/C7H12N4.2ClH/c8-4-3-7-10-9-6-2-1-5-11(6)7;;/h1-5,8H2;2*1H
InChIKeyUSBYDOHNVSWYEE-UHFFFAOYSA-N
MW225.12 g/mol
LogP0.57
Rot. Bonds2

About 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine;dihydrochloride

2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine;dihydrochloride (PubChem CID 86775255) has the molecular formula C7H14Cl2N4 and a molecular weight of 225.12 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine;dihydrochloride
PubChem CID86775255
Molecular FormulaC7H14Cl2N4
Molecular Weight225.12 g/mol
Exact Mass224.06
IUPAC Name2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1nnc2n1CCC2
InChIInChI=1S/C7H12N4.2ClH/c8-4-3-7-10-9-6-2-1-5-11(6)7;;/h1-5,8H2;2*1H
InChIKeyUSBYDOHNVSWYEE-UHFFFAOYSA-N
XLogP0.57
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine;dihydrochloride (CID 86775255) is 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine;dihydrochloride is Cl.Cl.NCCc1nnc2n1CCC2.
What is the InChIKey of 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine;dihydrochloride?
The InChIKey is USBYDOHNVSWYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.2ClH/c8-4-3-7-10-9-6-2-1-5-11(6)7;;/h1-5,8H2;2*1H.
What are the key properties of 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine;dihydrochloride?
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine;dihydrochloride has a molecular weight of 225.12 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 86775255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).