N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(diethylamino)acetamide

C15H20ClN5O — CID 51050541

IUPACN-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)NCc1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C15H20ClN5O/c1-3-20(4-2)11-15(22)17-9-13-10-21(19-18-13)14-7-5-12(16)6-8-14/h5-8,10H,3-4,9,11H2,1-2H3,(H,17,22)
InChIKeyKXDMTQUXKOJBDV-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.88
Rot. Bonds7

About N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(diethylamino)acetamide

N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(diethylamino)acetamide (PubChem CID 51050541) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(diethylamino)acetamide
PubChem CID51050541
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC NameN-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)NCc1cn(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C15H20ClN5O/c1-3-20(4-2)11-15(22)17-9-13-10-21(19-18-13)14-7-5-12(16)6-8-14/h5-8,10H,3-4,9,11H2,1-2H3,(H,17,22)
InChIKeyKXDMTQUXKOJBDV-UHFFFAOYSA-N
XLogP1.88
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(diethylamino)acetamide?
The IUPAC name of N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(diethylamino)acetamide (CID 51050541) is N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(diethylamino)acetamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(diethylamino)acetamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(diethylamino)acetamide is CCN(CC)CC(=O)NCc1cn(-c2ccc(Cl)cc2)nn1.
What is the InChIKey of N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(diethylamino)acetamide?
The InChIKey is KXDMTQUXKOJBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-3-20(4-2)11-15(22)17-9-13-10-21(19-18-13)14-7-5-12(16)6-8-14/h5-8,10H,3-4,9,11H2,1-2H3,(H,17,22).
What are the key properties of N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(diethylamino)acetamide?
N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(diethylamino)acetamide has a molecular weight of 321.81 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(diethylamino)acetamide is sourced from PubChem (CID 51050541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).