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

C10H19N5 — CID 119909413

IUPAC[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(CCn2cncn2)CC1
InChIInChI=1S/C10H19N5/c11-7-10-1-3-14(4-2-10)5-6-15-9-12-8-13-15/h8-10H,1-7,11H2
InChIKeyJXAOFOUXHBGTGD-UHFFFAOYSA-N
MW209.30 g/mol
LogP-0.05
Rot. Bonds4

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

[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanamine (PubChem CID 119909413) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is [1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanamine
PubChem CID119909413
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(CCn2cncn2)CC1
InChIInChI=1S/C10H19N5/c11-7-10-1-3-14(4-2-10)5-6-15-9-12-8-13-15/h8-10H,1-7,11H2
InChIKeyJXAOFOUXHBGTGD-UHFFFAOYSA-N
XLogP-0.05
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanamine (CID 119909413) is [1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanamine is NCC1CCN(CCn2cncn2)CC1.
What is the InChIKey of [1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanamine?
The InChIKey is JXAOFOUXHBGTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c11-7-10-1-3-14(4-2-10)5-6-15-9-12-8-13-15/h8-10H,1-7,11H2.
What are the key properties of [1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanamine?
[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanamine has a molecular weight of 209.30 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 119909413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).