[1-(5-hexyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine

C14H27N5 — CID 102800743

IUPAC[1-(5-hexyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
SMILESCCCCCCc1nc(N2CCC(CN)CC2)n[nH]1
InChIInChI=1S/C14H27N5/c1-2-3-4-5-6-13-16-14(18-17-13)19-9-7-12(11-15)8-10-19/h12H,2-11,15H2,1H3,(H,16,17,18)
InChIKeyZJIUHUQJHGMVRR-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.10
Rot. Bonds7

About [1-(5-hexyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine

[1-(5-hexyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine (PubChem CID 102800743) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is [1-(5-hexyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(5-hexyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
PubChem CID102800743
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name[1-(5-hexyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
SMILESCCCCCCc1nc(N2CCC(CN)CC2)n[nH]1
InChIInChI=1S/C14H27N5/c1-2-3-4-5-6-13-16-14(18-17-13)19-9-7-12(11-15)8-10-19/h12H,2-11,15H2,1H3,(H,16,17,18)
InChIKeyZJIUHUQJHGMVRR-UHFFFAOYSA-N
XLogP2.10
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.10
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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Related Compounds

[1-(5-pentyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800741
[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800666
1-[1-(5-heptyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]ethanamine
CID 102799158
1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine
CID 102793292
[1-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
CID 102800942
[1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800744
[1-[5-(2-methylbutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800704
(3S)-1-(5-heptyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797944
(3R)-1-(5-heptyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797599
4-[3-(3-aminopyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-1-ol
CID 102793313
2-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 83884650
[1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800780

Frequently Asked Questions

What is the IUPAC name of [1-(5-hexyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(5-hexyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine (CID 102800743) is [1-(5-hexyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(5-hexyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(5-hexyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine is CCCCCCc1nc(N2CCC(CN)CC2)n[nH]1.
What is the InChIKey of [1-(5-hexyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine?
The InChIKey is ZJIUHUQJHGMVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-2-3-4-5-6-13-16-14(18-17-13)19-9-7-12(11-15)8-10-19/h12H,2-11,15H2,1H3,(H,16,17,18).
What are the key properties of [1-(5-hexyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine?
[1-(5-hexyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine has a molecular weight of 265.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-hexyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 102800743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).