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

C10H19N5 — CID 102800666

IUPAC[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
SMILESCCc1nc(N2CCC(CN)CC2)n[nH]1
InChIInChI=1S/C10H19N5/c1-2-9-12-10(14-13-9)15-5-3-8(7-11)4-6-15/h8H,2-7,11H2,1H3,(H,12,13,14)
InChIKeyKFKBQEUZQSVFID-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.54
Rot. Bonds3

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

[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine (PubChem CID 102800666) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is [1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
PubChem CID102800666
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
SMILESCCc1nc(N2CCC(CN)CC2)n[nH]1
InChIInChI=1S/C10H19N5/c1-2-9-12-10(14-13-9)15-5-3-8(7-11)4-6-15/h8H,2-7,11H2,1H3,(H,12,13,14)
InChIKeyKFKBQEUZQSVFID-UHFFFAOYSA-N
XLogP0.54
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-pentyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800741
[1-(5-hexyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800743
[1-[5-(2-methylbutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800704
[1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800744
N-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine
CID 102799345
[1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800780
[1-[5-(3-methylbutan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800698
[1-[5-(5-ethylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800681
2-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 83884650
[1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800552
[1-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800764
1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine
CID 102793292

Frequently Asked Questions

What is the IUPAC name of [1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine (CID 102800666) is [1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine is CCc1nc(N2CCC(CN)CC2)n[nH]1.
What is the InChIKey of [1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine?
The InChIKey is KFKBQEUZQSVFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-2-9-12-10(14-13-9)15-5-3-8(7-11)4-6-15/h8H,2-7,11H2,1H3,(H,12,13,14).
What are the key properties of [1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine?
[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine has a molecular weight of 209.30 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 102800666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).