4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-2-en-1-amine

C11H16N4 — CID 81057521

IUPAC4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nnc3n2CCCC3)C1
InChIInChI=1S/C11H16N4/c12-9-5-4-8(7-9)11-14-13-10-3-1-2-6-15(10)11/h4-5,8-9H,1-3,6-7,12H2
InChIKeyTXPDFMNSWKQYEB-UHFFFAOYSA-N
MW204.28 g/mol
LogP0.99
Rot. Bonds1

About 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-2-en-1-amine

4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-2-en-1-amine (PubChem CID 81057521) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-2-en-1-amine
PubChem CID81057521
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-2-en-1-amine
SMILESNC1C=CC(c2nnc3n2CCCC3)C1
InChIInChI=1S/C11H16N4/c12-9-5-4-8(7-9)11-14-13-10-3-1-2-6-15(10)11/h4-5,8-9H,1-3,6-7,12H2
InChIKeyTXPDFMNSWKQYEB-UHFFFAOYSA-N
XLogP0.99
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.99
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-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-2-en-1-amine?
The IUPAC name of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-2-en-1-amine (CID 81057521) is 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-2-en-1-amine.
What is the SMILES notation for 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-2-en-1-amine?
The canonical SMILES for 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-2-en-1-amine is NC1C=CC(c2nnc3n2CCCC3)C1.
What is the InChIKey of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-2-en-1-amine?
The InChIKey is TXPDFMNSWKQYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c12-9-5-4-8(7-9)11-14-13-10-3-1-2-6-15(10)11/h4-5,8-9H,1-3,6-7,12H2.
What are the key properties of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-2-en-1-amine?
4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-2-en-1-amine has a molecular weight of 204.28 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopent-2-en-1-amine is sourced from PubChem (CID 81057521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).