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

C7H12N4 — CID 25323677

IUPAC(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
SMILESC[C@@H](N)c1nnc2n1CCC2
InChIInChI=1S/C7H12N4/c1-5(8)7-10-9-6-3-2-4-11(6)7/h5H,2-4,8H2,1H3/t5-/m1/s1
InChIKeyXUTYRPGBNPZBEP-RXMQYKEDSA-N
MW152.20 g/mol
LogP0.24
Rot. Bonds1

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

(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine (PubChem CID 25323677) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is (1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
PubChem CID25323677
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
SMILESC[C@@H](N)c1nnc2n1CCC2
InChIInChI=1S/C7H12N4/c1-5(8)7-10-9-6-3-2-4-11(6)7/h5H,2-4,8H2,1H3/t5-/m1/s1
InChIKeyXUTYRPGBNPZBEP-RXMQYKEDSA-N
XLogP0.24
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine?
The IUPAC name of (1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine (CID 25323677) is (1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine.
What is the SMILES notation for (1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine?
The canonical SMILES for (1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine is C[C@@H](N)c1nnc2n1CCC2.
What is the InChIKey of (1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine?
The InChIKey is XUTYRPGBNPZBEP-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12N4/c1-5(8)7-10-9-6-3-2-4-11(6)7/h5H,2-4,8H2,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine?
(1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine has a molecular weight of 152.20 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine is sourced from PubChem (CID 25323677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).