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

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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).