1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride

C14H19Cl2N5O — CID 76684097

IUPAC1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride
SMILESCl.Clc1ccc(-n2cc(NCCN3CCOCC3)nn2)cc1
InChIInChI=1S/C14H18ClN5O.ClH/c15-12-1-3-13(4-2-12)20-11-14(17-18-20)16-5-6-19-7-9-21-10-8-19;/h1-4,11,16H,5-10H2;1H
InChIKeyMZIAMTGWBHVQOR-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.09
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride

1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride (PubChem CID 76684097) has the molecular formula C14H19Cl2N5O and a molecular weight of 344.25 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride
PubChem CID76684097
Molecular FormulaC14H19Cl2N5O
Molecular Weight344.25 g/mol
Exact Mass343.10
IUPAC Name1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride
SMILESCl.Clc1ccc(-n2cc(NCCN3CCOCC3)nn2)cc1
InChIInChI=1S/C14H18ClN5O.ClH/c15-12-1-3-13(4-2-12)20-11-14(17-18-20)16-5-6-19-7-9-21-10-8-19;/h1-4,11,16H,5-10H2;1H
InChIKeyMZIAMTGWBHVQOR-UHFFFAOYSA-N
XLogP2.09
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride (CID 76684097) is 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride is Cl.Clc1ccc(-n2cc(NCCN3CCOCC3)nn2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride?
The InChIKey is MZIAMTGWBHVQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O.ClH/c15-12-1-3-13(4-2-12)20-11-14(17-18-20)16-5-6-19-7-9-21-10-8-19;/h1-4,11,16H,5-10H2;1H.
What are the key properties of 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride?
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride has a molecular weight of 344.25 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride is sourced from PubChem (CID 76684097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).