N-(2-morpholin-4-ylethyl)-1-naphthalen-1-yltriazol-4-amine;hydrochloride

C18H22ClN5O — CID 76683979

IUPACN-(2-morpholin-4-ylethyl)-1-naphthalen-1-yltriazol-4-amine;hydrochloride
SMILESCl.c1ccc2c(-n3cc(NCCN4CCOCC4)nn3)cccc2c1
InChIInChI=1S/C18H21N5O.ClH/c1-2-6-16-15(4-1)5-3-7-17(16)23-14-18(20-21-23)19-8-9-22-10-12-24-13-11-22;/h1-7,14,19H,8-13H2;1H
InChIKeyXJSSDJUZAHHQJT-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.59
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-1-naphthalen-1-yltriazol-4-amine;hydrochloride

N-(2-morpholin-4-ylethyl)-1-naphthalen-1-yltriazol-4-amine;hydrochloride (PubChem CID 76683979) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1-naphthalen-1-yltriazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1-naphthalen-1-yltriazol-4-amine;hydrochloride
PubChem CID76683979
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC NameN-(2-morpholin-4-ylethyl)-1-naphthalen-1-yltriazol-4-amine;hydrochloride
SMILESCl.c1ccc2c(-n3cc(NCCN4CCOCC4)nn3)cccc2c1
InChIInChI=1S/C18H21N5O.ClH/c1-2-6-16-15(4-1)5-3-7-17(16)23-14-18(20-21-23)19-8-9-22-10-12-24-13-11-22;/h1-7,14,19H,8-13H2;1H
InChIKeyXJSSDJUZAHHQJT-UHFFFAOYSA-N
XLogP2.59
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1-naphthalen-1-yltriazol-4-amine;hydrochloride?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1-naphthalen-1-yltriazol-4-amine;hydrochloride (CID 76683979) is N-(2-morpholin-4-ylethyl)-1-naphthalen-1-yltriazol-4-amine;hydrochloride.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1-naphthalen-1-yltriazol-4-amine;hydrochloride?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1-naphthalen-1-yltriazol-4-amine;hydrochloride is Cl.c1ccc2c(-n3cc(NCCN4CCOCC4)nn3)cccc2c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1-naphthalen-1-yltriazol-4-amine;hydrochloride?
The InChIKey is XJSSDJUZAHHQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O.ClH/c1-2-6-16-15(4-1)5-3-7-17(16)23-14-18(20-21-23)19-8-9-22-10-12-24-13-11-22;/h1-7,14,19H,8-13H2;1H.
What are the key properties of N-(2-morpholin-4-ylethyl)-1-naphthalen-1-yltriazol-4-amine;hydrochloride?
N-(2-morpholin-4-ylethyl)-1-naphthalen-1-yltriazol-4-amine;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1-naphthalen-1-yltriazol-4-amine;hydrochloride is sourced from PubChem (CID 76683979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).