1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2,4-triazole-3-carboxamide

C20H28FN5O2 — CID 55521037

IUPAC1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCC(CC(C)C)N2CCOCC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C20H28FN5O2/c1-14(2)12-18(25-8-10-28-11-9-25)13-22-20(27)19-23-15(3)26(24-19)17-6-4-16(21)5-7-17/h4-7,14,18H,8-13H2,1-3H3,(H,22,27)
InChIKeyKJBNBYFAQIKMOM-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.19
Rot. Bonds7

About 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2,4-triazole-3-carboxamide

1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2,4-triazole-3-carboxamide (PubChem CID 55521037) has the molecular formula C20H28FN5O2 and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2,4-triazole-3-carboxamide
PubChem CID55521037
Molecular FormulaC20H28FN5O2
Molecular Weight389.48 g/mol
Exact Mass389.22
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2,4-triazole-3-carboxamide
SMILESCc1nc(C(=O)NCC(CC(C)C)N2CCOCC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C20H28FN5O2/c1-14(2)12-18(25-8-10-28-11-9-25)13-22-20(27)19-23-15(3)26(24-19)17-6-4-16(21)5-7-17/h4-7,14,18H,8-13H2,1-3H3,(H,22,27)
InChIKeyKJBNBYFAQIKMOM-UHFFFAOYSA-N
XLogP2.19
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2,4-triazole-3-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

5-fluoro-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-2-carboxamide
CID 46557915
N-(2,2-dichloroethyl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 126826968
4-fluoro-2-iodo-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 55688167
2-(4-fluorophenoxy)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 134027111
6-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 43050246
N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrazole-4-carboxamide
CID 60786494
3-fluoro-N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide
CID 78840417
2-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 110403268
5-methyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692539
1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide
CID 43050213
2-[2-[[1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241397
6-chloro-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 134027027

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2,4-triazole-3-carboxamide (CID 55521037) is 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2,4-triazole-3-carboxamide is Cc1nc(C(=O)NCC(CC(C)C)N2CCOCC2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is KJBNBYFAQIKMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5O2/c1-14(2)12-18(25-8-10-28-11-9-25)13-22-20(27)19-23-15(3)26(24-19)17-6-4-16(21)5-7-17/h4-7,14,18H,8-13H2,1-3H3,(H,22,27).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2,4-triazole-3-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 55521037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).