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

C13H25N5 — CID 54885020

IUPAC1-(1-propylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
SMILESCCCN1CCC(C(C)NCc2ncn[nH]2)CC1
InChIInChI=1S/C13H25N5/c1-3-6-18-7-4-12(5-8-18)11(2)14-9-13-15-10-16-17-13/h10-12,14H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyWNGMDFWYUYKVST-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.40
Rot. Bonds6

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

1-(1-propylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine (PubChem CID 54885020) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-(1-propylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-propylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
PubChem CID54885020
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name1-(1-propylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
SMILESCCCN1CCC(C(C)NCc2ncn[nH]2)CC1
InChIInChI=1S/C13H25N5/c1-3-6-18-7-4-12(5-8-18)11(2)14-9-13-15-10-16-17-13/h10-12,14H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyWNGMDFWYUYKVST-UHFFFAOYSA-N
XLogP1.40
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(1-propylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine (CID 54885020) is 1-(1-propylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-propylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-propylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine is CCCN1CCC(C(C)NCc2ncn[nH]2)CC1.
What is the InChIKey of 1-(1-propylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The InChIKey is WNGMDFWYUYKVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-3-6-18-7-4-12(5-8-18)11(2)14-9-13-15-10-16-17-13/h10-12,14H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 1-(1-propylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
1-(1-propylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine has a molecular weight of 251.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpiperidin-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 54885020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).