5-[3-(4-pyridin-2-ylphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine

C18H21N5 — CID 82569333

IUPAC5-[3-(4-pyridin-2-ylphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine
SMILESNCCCCCc1nc(-c2ccc(-c3ccccn3)cc2)n[nH]1
InChIInChI=1S/C18H21N5/c19-12-4-1-2-7-17-21-18(23-22-17)15-10-8-14(9-11-15)16-6-3-5-13-20-16/h3,5-6,8-11,13H,1-2,4,7,12,19H2,(H,21,22,23)
InChIKeyUXXMUNSFHKQNSE-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.21
Rot. Bonds7

About 5-[3-(4-pyridin-2-ylphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine

5-[3-(4-pyridin-2-ylphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine (PubChem CID 82569333) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-[3-(4-pyridin-2-ylphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[3-(4-pyridin-2-ylphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine
PubChem CID82569333
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name5-[3-(4-pyridin-2-ylphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine
SMILESNCCCCCc1nc(-c2ccc(-c3ccccn3)cc2)n[nH]1
InChIInChI=1S/C18H21N5/c19-12-4-1-2-7-17-21-18(23-22-17)15-10-8-14(9-11-15)16-6-3-5-13-20-16/h3,5-6,8-11,13H,1-2,4,7,12,19H2,(H,21,22,23)
InChIKeyUXXMUNSFHKQNSE-UHFFFAOYSA-N
XLogP3.21
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.21
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 5-[3-(4-pyridin-2-ylphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine?
The IUPAC name of 5-[3-(4-pyridin-2-ylphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine (CID 82569333) is 5-[3-(4-pyridin-2-ylphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine.
What is the SMILES notation for 5-[3-(4-pyridin-2-ylphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine?
The canonical SMILES for 5-[3-(4-pyridin-2-ylphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine is NCCCCCc1nc(-c2ccc(-c3ccccn3)cc2)n[nH]1.
What is the InChIKey of 5-[3-(4-pyridin-2-ylphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine?
The InChIKey is UXXMUNSFHKQNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c19-12-4-1-2-7-17-21-18(23-22-17)15-10-8-14(9-11-15)16-6-3-5-13-20-16/h3,5-6,8-11,13H,1-2,4,7,12,19H2,(H,21,22,23).
What are the key properties of 5-[3-(4-pyridin-2-ylphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine?
5-[3-(4-pyridin-2-ylphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine has a molecular weight of 307.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-pyridin-2-ylphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine is sourced from PubChem (CID 82569333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).