1-benzyl-5-chloro-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide

C16H20ClN5O2 — CID 91938567

IUPAC1-benzyl-5-chloro-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1nnn(Cc2ccccc2)c1Cl
InChIInChI=1S/C16H20ClN5O2/c17-15-14(16(23)18-6-7-21-8-10-24-11-9-21)19-20-22(15)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,18,23)
InChIKeyCMWBFBMJOXPMMB-UHFFFAOYSA-N
MW349.82 g/mol
LogP1.04
Rot. Bonds6

About 1-benzyl-5-chloro-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide

1-benzyl-5-chloro-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide (PubChem CID 91938567) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 1-benzyl-5-chloro-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
PubChem CID91938567
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name1-benzyl-5-chloro-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1nnn(Cc2ccccc2)c1Cl
InChIInChI=1S/C16H20ClN5O2/c17-15-14(16(23)18-6-7-21-8-10-24-11-9-21)19-20-22(15)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,18,23)
InChIKeyCMWBFBMJOXPMMB-UHFFFAOYSA-N
XLogP1.04
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-5-chloro-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
3-chloro-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71690241
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
2-benzyl-N-(2-morpholin-4-ylethyl)benzamide
CID 51159471
6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115651
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
3-benzyl-N-(2-morpholin-4-ylethyl)-2-phenylbenzimidazole-5-carboxamide
CID 141496217
2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 117094318
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 17217479
5-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353960
N-(2-morpholin-4-ylethyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100772105
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide (CID 91938567) is 1-benzyl-5-chloro-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide is O=C(NCCN1CCOCC1)c1nnn(Cc2ccccc2)c1Cl.
What is the InChIKey of 1-benzyl-5-chloro-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide?
The InChIKey is CMWBFBMJOXPMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c17-15-14(16(23)18-6-7-21-8-10-24-11-9-21)19-20-22(15)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,18,23).
What are the key properties of 1-benzyl-5-chloro-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide?
1-benzyl-5-chloro-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 91938567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).