1-(3,4-dichlorophenyl)-5-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride

C15H20Cl3N5 — CID 90273509

IUPAC1-(3,4-dichlorophenyl)-5-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride
SMILESCl.Nc1nnn(-c2ccc(Cl)c(Cl)c2)c1CCN1CCCCC1
InChIInChI=1S/C15H19Cl2N5.ClH/c16-12-5-4-11(10-13(12)17)22-14(15(18)19-20-22)6-9-21-7-2-1-3-8-21;/h4-5,10H,1-3,6-9,18H2;1H
InChIKeyYHTDFNIXAYMAQJ-UHFFFAOYSA-N
MW376.72 g/mol
LogP3.61
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-5-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride

1-(3,4-dichlorophenyl)-5-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride (PubChem CID 90273509) has the molecular formula C15H20Cl3N5 and a molecular weight of 376.72 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride
PubChem CID90273509
Molecular FormulaC15H20Cl3N5
Molecular Weight376.72 g/mol
Exact Mass375.08
IUPAC Name1-(3,4-dichlorophenyl)-5-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride
SMILESCl.Nc1nnn(-c2ccc(Cl)c(Cl)c2)c1CCN1CCCCC1
InChIInChI=1S/C15H19Cl2N5.ClH/c16-12-5-4-11(10-13(12)17)22-14(15(18)19-20-22)6-9-21-7-2-1-3-8-21;/h4-5,10H,1-3,6-9,18H2;1H
InChIKeyYHTDFNIXAYMAQJ-UHFFFAOYSA-N
XLogP3.61
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.72
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-5-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-5-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride (CID 90273509) is 1-(3,4-dichlorophenyl)-5-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride is Cl.Nc1nnn(-c2ccc(Cl)c(Cl)c2)c1CCN1CCCCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride?
The InChIKey is YHTDFNIXAYMAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N5.ClH/c16-12-5-4-11(10-13(12)17)22-14(15(18)19-20-22)6-9-21-7-2-1-3-8-21;/h4-5,10H,1-3,6-9,18H2;1H.
What are the key properties of 1-(3,4-dichlorophenyl)-5-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride?
1-(3,4-dichlorophenyl)-5-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride has a molecular weight of 376.72 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-5-(2-piperidin-1-ylethyl)triazol-4-amine;hydrochloride is sourced from PubChem (CID 90273509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).