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

C13H25N5 — CID 113260217

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,5-trimethylpiperidin-4-amine
SMILESCCn1cnnc1CNC1CC(C)N(C)CC1C
InChIInChI=1S/C13H25N5/c1-5-18-9-15-16-13(18)7-14-12-6-11(3)17(4)8-10(12)2/h9-12,14H,5-8H2,1-4H3
InChIKeyTVDKVPFIQZFFOO-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.12
Rot. Bonds4

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,5-trimethylpiperidin-4-amine (PubChem CID 113260217) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,5-trimethylpiperidin-4-amine
PubChem CID113260217
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,5-trimethylpiperidin-4-amine
SMILESCCn1cnnc1CNC1CC(C)N(C)CC1C
InChIInChI=1S/C13H25N5/c1-5-18-9-15-16-13(18)7-14-12-6-11(3)17(4)8-10(12)2/h9-12,14H,5-8H2,1-4H3
InChIKeyTVDKVPFIQZFFOO-UHFFFAOYSA-N
XLogP1.12
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,5-trimethylpiperidin-4-amine (CID 113260217) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,5-trimethylpiperidin-4-amine is CCn1cnnc1CNC1CC(C)N(C)CC1C.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is TVDKVPFIQZFFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-5-18-9-15-16-13(18)7-14-12-6-11(3)17(4)8-10(12)2/h9-12,14H,5-8H2,1-4H3.
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,5-trimethylpiperidin-4-amine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 251.38 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 113260217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).