N,4-diethyl-5-piperidin-4-yl-1,2,4-triazol-3-amine

C11H21N5 — CID 112597415

IUPACN,4-diethyl-5-piperidin-4-yl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C2CCNCC2)n1CC
InChIInChI=1S/C11H21N5/c1-3-13-11-15-14-10(16(11)4-2)9-5-7-12-8-6-9/h9,12H,3-8H2,1-2H3,(H,13,15)
InChIKeyLXZIDVMCYIJYKW-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.20
Rot. Bonds4

About N,4-diethyl-5-piperidin-4-yl-1,2,4-triazol-3-amine

N,4-diethyl-5-piperidin-4-yl-1,2,4-triazol-3-amine (PubChem CID 112597415) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N,4-diethyl-5-piperidin-4-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-piperidin-4-yl-1,2,4-triazol-3-amine
PubChem CID112597415
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN,4-diethyl-5-piperidin-4-yl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C2CCNCC2)n1CC
InChIInChI=1S/C11H21N5/c1-3-13-11-15-14-10(16(11)4-2)9-5-7-12-8-6-9/h9,12H,3-8H2,1-2H3,(H,13,15)
InChIKeyLXZIDVMCYIJYKW-UHFFFAOYSA-N
XLogP1.20
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-piperidin-4-yl-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-piperidin-4-yl-1,2,4-triazol-3-amine (CID 112597415) is N,4-diethyl-5-piperidin-4-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-piperidin-4-yl-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-piperidin-4-yl-1,2,4-triazol-3-amine is CCNc1nnc(C2CCNCC2)n1CC.
What is the InChIKey of N,4-diethyl-5-piperidin-4-yl-1,2,4-triazol-3-amine?
The InChIKey is LXZIDVMCYIJYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-3-13-11-15-14-10(16(11)4-2)9-5-7-12-8-6-9/h9,12H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N,4-diethyl-5-piperidin-4-yl-1,2,4-triazol-3-amine?
N,4-diethyl-5-piperidin-4-yl-1,2,4-triazol-3-amine has a molecular weight of 223.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-piperidin-4-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).