1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine

C11H21N5 — CID 102793292

IUPAC1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine
SMILESCCCCCc1nc(N2CCC(N)C2)n[nH]1
InChIInChI=1S/C11H21N5/c1-2-3-4-5-10-13-11(15-14-10)16-7-6-9(12)8-16/h9H,2-8,12H2,1H3,(H,13,14,15)
InChIKeyIDBFZDGQVPTVCS-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.07
Rot. Bonds5

About 1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine

1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine (PubChem CID 102793292) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine
PubChem CID102793292
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine
SMILESCCCCCc1nc(N2CCC(N)C2)n[nH]1
InChIInChI=1S/C11H21N5/c1-2-3-4-5-10-13-11(15-14-10)16-7-6-9(12)8-16/h9H,2-8,12H2,1H3,(H,13,14,15)
InChIKeyIDBFZDGQVPTVCS-UHFFFAOYSA-N
XLogP1.07
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine (CID 102793292) is 1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine is CCCCCc1nc(N2CCC(N)C2)n[nH]1.
What is the InChIKey of 1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine?
The InChIKey is IDBFZDGQVPTVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-2-3-4-5-10-13-11(15-14-10)16-7-6-9(12)8-16/h9H,2-8,12H2,1H3,(H,13,14,15).
What are the key properties of 1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine?
1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine has a molecular weight of 223.32 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 102793292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).