1,2,5-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine

C13H25N5 — CID 43703310

IUPAC1,2,5-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
SMILESCC(NC1CC(C)N(C)CC1C)c1nncn1C
InChIInChI=1S/C13H25N5/c1-9-7-17(4)10(2)6-12(9)15-11(3)13-16-14-8-18(13)5/h8-12,15H,6-7H2,1-5H3
InChIKeyXVWYOHKJQTVDDF-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.19
Rot. Bonds3

About 1,2,5-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine

1,2,5-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine (PubChem CID 43703310) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1,2,5-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
PubChem CID43703310
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name1,2,5-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
SMILESCC(NC1CC(C)N(C)CC1C)c1nncn1C
InChIInChI=1S/C13H25N5/c1-9-7-17(4)10(2)6-12(9)15-11(3)13-16-14-8-18(13)5/h8-12,15H,6-7H2,1-5H3
InChIKeyXVWYOHKJQTVDDF-UHFFFAOYSA-N
XLogP1.19
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1,2,5-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine (CID 43703310) is 1,2,5-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1,2,5-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1,2,5-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine is CC(NC1CC(C)N(C)CC1C)c1nncn1C.
What is the InChIKey of 1,2,5-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
The InChIKey is XVWYOHKJQTVDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-9-7-17(4)10(2)6-12(9)15-11(3)13-16-14-8-18(13)5/h8-12,15H,6-7H2,1-5H3.
What are the key properties of 1,2,5-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
1,2,5-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine has a molecular weight of 251.38 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 43703310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).