1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)triazole-4-carboxamide

C17H24N7O2+ — CID 6986537

IUPAC1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)triazole-4-carboxamide
SMILESCc1nc(-n2cc(C(=O)NCC[NH+]3CCOCC3)nn2)nc2c1CCC2
InChIInChI=1S/C17H23N7O2/c1-12-13-3-2-4-14(13)20-17(19-12)24-11-15(21-22-24)16(25)18-5-6-23-7-9-26-10-8-23/h11H,2-10H2,1H3,(H,18,25)/p+1
InChIKeyATWIVVGAKMUWDI-UHFFFAOYSA-O
MW358.43 g/mol
LogP-1.50
Rot. Bonds5

About 1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)triazole-4-carboxamide

1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)triazole-4-carboxamide (PubChem CID 6986537) has the molecular formula C17H24N7O2+ and a molecular weight of 358.43 g/mol. Its IUPAC name is 1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)triazole-4-carboxamide
PubChem CID6986537
Molecular FormulaC17H24N7O2+
Molecular Weight358.43 g/mol
Exact Mass358.20
IUPAC Name1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)triazole-4-carboxamide
SMILESCc1nc(-n2cc(C(=O)NCC[NH+]3CCOCC3)nn2)nc2c1CCC2
InChIInChI=1S/C17H23N7O2/c1-12-13-3-2-4-14(13)20-17(19-12)24-11-15(21-22-24)16(25)18-5-6-23-7-9-26-10-8-23/h11H,2-10H2,1H3,(H,18,25)/p+1
InChIKeyATWIVVGAKMUWDI-UHFFFAOYSA-O
XLogP-1.50
TPSA99.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-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

N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 56855023
N-(3-morpholin-4-ium-4-ylpropyl)-1-[(1S)-1-phenylethyl]triazole-4-carboxamide
CID 7443262
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 6963176
4-acetamido-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 4753621
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride
CID 43834667
5-bromo-N-(2-morpholin-4-ium-4-ylethyl)pyridine-3-carboxamide
CID 6945505
4-[(4-methylphenyl)sulfamoyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7392696
N-[2-(azepan-1-ium-1-yl)ethyl]-1-[(1R)-1-phenylethyl]triazole-4-carboxamide
CID 7443313
3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 6919317
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide
CID 2105530
4-[(4-methylphenyl)sulfanylmethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7379251
4-chloro-N-(2-morpholin-4-ium-4-ylethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 7150357

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)triazole-4-carboxamide (CID 6986537) is 1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)triazole-4-carboxamide is Cc1nc(-n2cc(C(=O)NCC[NH+]3CCOCC3)nn2)nc2c1CCC2.
What is the InChIKey of 1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)triazole-4-carboxamide?
The InChIKey is ATWIVVGAKMUWDI-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23N7O2/c1-12-13-3-2-4-14(13)20-17(19-12)24-11-15(21-22-24)16(25)18-5-6-23-7-9-26-10-8-23/h11H,2-10H2,1H3,(H,18,25)/p+1.
What are the key properties of 1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)triazole-4-carboxamide?
1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)triazole-4-carboxamide has a molecular weight of 358.43 g/mol, XLogP of -1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 6986537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).