[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+)

C10H15N4O2Y+2 — CID 20711611

IUPAC[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+)
SMILESCCNC1N=C(C)C=CN(CC([NH-])=O)C1=O.[Y+3]
InChIInChI=1S/C10H16N4O2.Y/c1-3-12-9-10(16)14(6-8(11)15)5-4-7(2)13-9;/h4-5,9,12H,3,6H2,1-2H3,(H2,11,15);/q;+3/p-1
InChIKeyVJHHZNCMAQGLNU-UHFFFAOYSA-M
MW312.16 g/mol
LogP0.32
Rot. Bonds4

About [2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+)

[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+) (PubChem CID 20711611) has the molecular formula C10H15N4O2Y+2 and a molecular weight of 312.16 g/mol. Its IUPAC name is [2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+).

Molecular Properties

Compound Name[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+)
PubChem CID20711611
Molecular FormulaC10H15N4O2Y+2
Molecular Weight312.16 g/mol
Exact Mass312.02
IUPAC Name[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+)
SMILESCCNC1N=C(C)C=CN(CC([NH-])=O)C1=O.[Y+3]
InChIInChI=1S/C10H16N4O2.Y/c1-3-12-9-10(16)14(6-8(11)15)5-4-7(2)13-9;/h4-5,9,12H,3,6H2,1-2H3,(H2,11,15);/q;+3/p-1
InChIKeyVJHHZNCMAQGLNU-UHFFFAOYSA-M
XLogP0.32
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+) with MolForge

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Related Compounds

N-butyl(4-butylimino-6-methyl-2-oxo-1,2,3,4-tetrahydro-3-pyrimidinyl)-acetamide
CID 129791878
2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one
CID 20711607
[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium
CID 59976274
2-(ethylamino)-7-methyl-4-(2-oxopropyl)-2H-1,4-diazepin-3-one;methane
CID 158490253
[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;methane;yttrium
CID 158959432
[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;methane;molecular iodine;yttrium
CID 161004226
2-amino-N-[2-[3-ethenyliminopent-4-enyl(methyl)amino]-2-oxoethyl]acetamide
CID 178172509
2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetamide
CID 20711612
N-(3-methylbutan-2-yl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide
CID 113230939
4-Methyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one
CID 114217405
N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimidin-1-yl)acetamide
CID 114217499

Frequently Asked Questions

What is the IUPAC name of [2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+)?
The IUPAC name of [2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+) (CID 20711611) is [2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+).
What is the SMILES notation for [2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+)?
The canonical SMILES for [2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+) is CCNC1N=C(C)C=CN(CC([NH-])=O)C1=O.[Y+3].
What is the InChIKey of [2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+)?
The InChIKey is VJHHZNCMAQGLNU-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16N4O2.Y/c1-3-12-9-10(16)14(6-8(11)15)5-4-7(2)13-9;/h4-5,9,12H,3,6H2,1-2H3,(H2,11,15);/q;+3/p-1.
What are the key properties of [2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+)?
[2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+) has a molecular weight of 312.16 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(ethylamino)-7-methyl-3-oxo-2H-1,4-diazepin-4-yl]acetyl]azanide;yttrium(3+) is sourced from PubChem (CID 20711611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).