4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclopent-2-en-1-amine

C10H14N4 — CID 79216795

IUPAC4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nnc3n2CCC3)C1
InChIInChI=1S/C10H14N4/c11-8-4-3-7(6-8)10-13-12-9-2-1-5-14(9)10/h3-4,7-8H,1-2,5-6,11H2
InChIKeyYFHTYOGTLOUFST-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.60
Rot. Bonds1

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

4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclopent-2-en-1-amine (PubChem CID 79216795) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclopent-2-en-1-amine
PubChem CID79216795
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nnc3n2CCC3)C1
InChIInChI=1S/C10H14N4/c11-8-4-3-7(6-8)10-13-12-9-2-1-5-14(9)10/h3-4,7-8H,1-2,5-6,11H2
InChIKeyYFHTYOGTLOUFST-UHFFFAOYSA-N
XLogP0.60
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclopent-2-en-1-amine (CID 79216795) is 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclopent-2-en-1-amine is NC1C=CC(c2nnc3n2CCC3)C1.
What is the InChIKey of 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclopent-2-en-1-amine?
The InChIKey is YFHTYOGTLOUFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c11-8-4-3-7(6-8)10-13-12-9-2-1-5-14(9)10/h3-4,7-8H,1-2,5-6,11H2.
What are the key properties of 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclopent-2-en-1-amine?
4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclopent-2-en-1-amine has a molecular weight of 190.25 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 79216795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).