1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine

C15H19Cl2N5 — CID 76683680

IUPAC1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
SMILESClc1ccc(-n2cc(NCCN3CCCCC3)nn2)c(Cl)c1
InChIInChI=1S/C15H19Cl2N5/c16-12-4-5-14(13(17)10-12)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2
InChIKeyLZDOBGCHNLXCAW-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.47
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine

1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine (PubChem CID 76683680) has the molecular formula C15H19Cl2N5 and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
PubChem CID76683680
Molecular FormulaC15H19Cl2N5
Molecular Weight340.26 g/mol
Exact Mass339.10
IUPAC Name1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
SMILESClc1ccc(-n2cc(NCCN3CCCCC3)nn2)c(Cl)c1
InChIInChI=1S/C15H19Cl2N5/c16-12-4-5-14(13(17)10-12)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2
InChIKeyLZDOBGCHNLXCAW-UHFFFAOYSA-N
XLogP3.47
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine (CID 76683680) is 1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine is Clc1ccc(-n2cc(NCCN3CCCCC3)nn2)c(Cl)c1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The InChIKey is LZDOBGCHNLXCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N5/c16-12-4-5-14(13(17)10-12)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine?
1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine has a molecular weight of 340.26 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine is sourced from PubChem (CID 76683680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).