1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]imidazole-4-carboxamide

C20H29N9O5 — CID 142730895

IUPAC1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]imidazole-4-carboxamide
SMILESO=C(CCCCNC(=O)c1cn(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1)NO
InChIInChI=1S/C20H29N9O5/c30-16(26-32)3-1-2-4-21-17(31)15-13-29(14-22-15)20-24-18(27-5-9-33-10-6-27)23-19(25-20)28-7-11-34-12-8-28/h13-14,32H,1-12H2,(H,21,31)(H,26,30)
InChIKeyIMGLZQCWWWKNIS-UHFFFAOYSA-N
MW475.51 g/mol
LogP-0.86
Rot. Bonds9

About 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]imidazole-4-carboxamide

1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]imidazole-4-carboxamide (PubChem CID 142730895) has the molecular formula C20H29N9O5 and a molecular weight of 475.51 g/mol. Its IUPAC name is 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]imidazole-4-carboxamide
PubChem CID142730895
Molecular FormulaC20H29N9O5
Molecular Weight475.51 g/mol
Exact Mass475.23
IUPAC Name1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]imidazole-4-carboxamide
SMILESO=C(CCCCNC(=O)c1cn(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1)NO
InChIInChI=1S/C20H29N9O5/c30-16(26-32)3-1-2-4-21-17(31)15-13-29(14-22-15)20-24-18(27-5-9-33-10-6-27)23-19(25-20)28-7-11-34-12-8-28/h13-14,32H,1-12H2,(H,21,31)(H,26,30)
InChIKeyIMGLZQCWWWKNIS-UHFFFAOYSA-N
XLogP-0.86
TPSA159.86 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.51
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)anilino]-N-hydroxyheptanamide
CID 142730894
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CID 118374649
N'-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N'-methyloctanehydrazide
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N-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide
CID 59561797
5-[4-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-hydroxypentanamide
CID 171478100
N-[2-(dimethylamino)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324197
N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300337
N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 110689462
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]pyridine-2-carboxamide
CID 122255004
1-(6-morpholin-4-ylpyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
CID 95102243
N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109361747
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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]imidazole-4-carboxamide?
The IUPAC name of 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]imidazole-4-carboxamide (CID 142730895) is 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]imidazole-4-carboxamide is O=C(CCCCNC(=O)c1cn(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cn1)NO.
What is the InChIKey of 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]imidazole-4-carboxamide?
The InChIKey is IMGLZQCWWWKNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N9O5/c30-16(26-32)3-1-2-4-21-17(31)15-13-29(14-22-15)20-24-18(27-5-9-33-10-6-27)23-19(25-20)28-7-11-34-12-8-28/h13-14,32H,1-12H2,(H,21,31)(H,26,30).
What are the key properties of 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]imidazole-4-carboxamide?
1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]imidazole-4-carboxamide has a molecular weight of 475.51 g/mol, XLogP of -0.86, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]imidazole-4-carboxamide is sourced from PubChem (CID 142730895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).