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

C11H21N5 — CID 61004668

IUPAC1-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
SMILESCCN1CCC(NCc2nncn2C)CC1
InChIInChI=1S/C11H21N5/c1-3-16-6-4-10(5-7-16)12-8-11-14-13-9-15(11)2/h9-10,12H,3-8H2,1-2H3
InChIKeyBLYLNFKMWPQEQH-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.39
Rot. Bonds4

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

1-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine (PubChem CID 61004668) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
PubChem CID61004668
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name1-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
SMILESCCN1CCC(NCc2nncn2C)CC1
InChIInChI=1S/C11H21N5/c1-3-16-6-4-10(5-7-16)12-8-11-14-13-9-15(11)2/h9-10,12H,3-8H2,1-2H3
InChIKeyBLYLNFKMWPQEQH-UHFFFAOYSA-N
XLogP0.39
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine (CID 61004668) is 1-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine is CCN1CCC(NCc2nncn2C)CC1.
What is the InChIKey of 1-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
The InChIKey is BLYLNFKMWPQEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-3-16-6-4-10(5-7-16)12-8-11-14-13-9-15(11)2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine?
1-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 61004668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).