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

C14H18ClN5O — CID 76684098

IUPAC1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
SMILESClc1ccc(-n2cc(NCCN3CCOCC3)nn2)cc1
InChIInChI=1S/C14H18ClN5O/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
InChIKeyMLVZVGYTGPOGCM-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.66
Rot. Bonds5

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

1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine (PubChem CID 76684098) has the molecular formula C14H18ClN5O and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
PubChem CID76684098
Molecular FormulaC14H18ClN5O
Molecular Weight307.78 g/mol
Exact Mass307.12
IUPAC Name1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
SMILESClc1ccc(-n2cc(NCCN3CCOCC3)nn2)cc1
InChIInChI=1S/C14H18ClN5O/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
InChIKeyMLVZVGYTGPOGCM-UHFFFAOYSA-N
XLogP1.66
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.66
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?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine (CID 76684098) is 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine is Clc1ccc(-n2cc(NCCN3CCOCC3)nn2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine?
The InChIKey is MLVZVGYTGPOGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/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.
What are the key properties of 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine?
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine has a molecular weight of 307.78 g/mol, XLogP of 1.66, 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 is sourced from PubChem (CID 76684098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).