1-(1-ethylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine

C12H23N5 — CID 54884973

IUPAC1-(1-ethylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
SMILESCCN1CCC(C(C)NCc2ncn[nH]2)CC1
InChIInChI=1S/C12H23N5/c1-3-17-6-4-11(5-7-17)10(2)13-8-12-14-9-15-16-12/h9-11,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyBTOMTGXMPFZKOQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.01
Rot. Bonds5

About 1-(1-ethylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine

1-(1-ethylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine (PubChem CID 54884973) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
PubChem CID54884973
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name1-(1-ethylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
SMILESCCN1CCC(C(C)NCc2ncn[nH]2)CC1
InChIInChI=1S/C12H23N5/c1-3-17-6-4-11(5-7-17)10(2)13-8-12-14-9-15-16-12/h9-11,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyBTOMTGXMPFZKOQ-UHFFFAOYSA-N
XLogP1.01
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine (CID 54884973) is 1-(1-ethylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine is CCN1CCC(C(C)NCc2ncn[nH]2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The InChIKey is BTOMTGXMPFZKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-3-17-6-4-11(5-7-17)10(2)13-8-12-14-9-15-16-12/h9-11,13H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 1-(1-ethylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
1-(1-ethylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 54884973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).